Related Searches: Hexamethylene Diisocyanate, Toluene Diisocyanate, hexamethylene diamine, hexamethylene tetramine, Tolylene-2,4-diisocyanate

Hexamethylene Diisocyanate(CAS No. 822-06-0)

Hexamethylene Diisocyanate C8H12N2O2 (cas 822-06-0) Molecular Structure

822-06-0 Structure

Identification and Related Records

【Name】
Hexamethylene Diisocyanate
【CAS Registry number】
822-06-0
【Synonyms】
1,6-diisocyanatohexane
1,6-Hexamethylene diisocyanate
1,6-Hexanediol diisocyanate
1,6-hexylene diisocyanate
desmodur h
desmodur n
Evafanol AS-1
HDI
Hexamethylene-1,6-diisocyanate
Hexamethylene diisocyanate, 1,6-? hexane 1,6-diisocyanate
HMDI
isocyanic acid, diester with 1,6-hexanediol
isocyanic acid, hexamethylene ester
TL 78
【EINECS(EC#)】
212-485-8
【Molecular Formula】
C8H12N2O2 (Products with the same molecular formula)
【Molecular Weight】
168.19
【Inchi】
InChI=1/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
【InChIKey】
RRAMGCGOFNQTLD-UHFFFAOYSA-N
【Canonical SMILES】
C(CCCN=C=O)CCN=C=O
【MOL File】
822-06-0.mol

Chemical and Physical Properties

【Appearance】
Clear liquid
【Density】
1.04
【Melting Point】
-55℃
【Boiling Point】
255℃
【Vapour】
0.05 mm Hg ( 25 °C)
【Refractive Index】
1.451-1.453
【Flash Point】
140℃
【Water】
Reacts
【Solubilities】
Reacts
【Color/Form】
Clear, colorless to slightly yellow liquid.
【Stability】
Stable. Moisture sensitive. Combustible. Incompatible with strong oxidizing agents, strong bases, amines, acids. May react explosively with alcohols in the presence of base without a diluting solvent. Heating above 200 C may cause polymerization.
【HS Code】
29291090
【Storage temp】
2-8°C
【Spectral properties】
Index of refraction: 1.4585 @ 20 deg C/D
MASS: NIST 70266 (NIST/EPA/MCDC Mass Spectral Database 1990 version); WILEY 413 (Atlas of Spectral Data, John Wiley & Sons, New York)
【Computed Properties】
Molecular Weight:168.19308 [g/mol]
Molecular Formula:C8H12N2O2
XLogP3-AA:3.2
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:7
Exact Mass:168.089878
MonoIsotopic Mass:168.089878
Topological Polar Surface Area:58.9
Heavy Atom Count:12
Formal Charge:0
Complexity:169
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:135

Safety and Handling

【Hazard Codes】
T:Toxic;
【Risk Statements】
R23;R36/37/38;R42/43
【Safety Statements 】
S26;S28;S38;S45
【HazardClass】
6.1
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
UN 2281
【Formulations/Preparations】
The product is used in a "blocked" form in many applications.
【DOT Emergency Guidelines】
/GUIDE 156: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE/WATER-SENSITIVE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
/GUIDE 156: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE/WATER-SENSITIVE)/ Health: TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Contact with molten substance may cause severe burns to skin and eyes. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat which will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
/GUIDE 156: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE/WATER-SENSITIVE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.
/GUIDE 156: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE/WATER-SENSITIVE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
/GUIDE 156: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE/WATER-SENSITIVE)/ Evacuation: ... Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
/GUIDE 156: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE/WATER-SENSITIVE)/ Fire: Note: Most foams will react with the material and release corrosive/toxic gases. Small fires: CO2, dry chemical, dry sand, alcohol-resistant foam. Large fires: Water spray, fog or alcohol-resistant foam. ... Move containers from fire area if you can do it without risk. Use water spray or fog; do not use straight streams. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire.
/GUIDE 156: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE/WATER-SENSITIVE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. A vapor suppressing foam may be used to reduce vapors. ... DO NOT GET WATER on spilled substance or inside containers. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Prevent entry into waterways, sewers, basements or confined areas. Small spills: Cover with DRY earth, DRY sand, or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Use clean non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal.
/GUIDE 156: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE/WATER-SENSITIVE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
【Reactivities and Incompatibilities】
... REACTIONS /BASE-CATALYZED REACTIONS OF HEXAMETHYLENE DIISOCYANATE WITH ALCOHOLS/ IN THE ABSENCE OF SOLVENTS OFTEN OCCUR WITH EXPLOSIVE VIOLENCE.
Water, alcohols, strong bases, amines, carboxylic acids, organotin catalysts [Note: Reacts slowly with water to form carbon dioxide. Avoid heating above 392 degrees F (polymerizes)].
Base-catalyzed reactions of isocyanates, such as the title compound, with alcohols may be explosively violent in absence of diluting solvents.
Potentially explosive reaction with alcohols + base.
【Other Preventative Measures】
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
【Protective Equipment and Clothing】
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.
Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.]
Recommendations for respirator selection. Max concn for use: 0.05 ppm. Respirator Class(es): Any supplied-air respirator. May require eye protection.
Recommendations for respirator selection. Max concn for use: 0.125 ppm. Respirator Class(es): Any supplied-air respirator operated in a continuous flow mode. May require eye protection.
Recommendations for respirator selection. Max concn for use: 0.25 ppm. Respirator Class(es): Any self-contained breathing apparatus with a full facepiece. Any supplied-air respirator with a full facepiece.
Recommendations for respirator selection. Max concn for use: 1 ppm. Respirator Class(es): Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode.
Recommendations for respirator selection. Condition: Emergency or planned entry into unknown concn or IDLH conditions: Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive-pressure mode.
Recommendations for respirator selection. Condition: Escape from suddenly occurring respiratory hazards: Respirator Class(es): Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. Any appropriate escape-type, self-contained breathing apparatus.
【Specification】

The 1,6-Diisocyanatohexane , with cas registry number of 822-06-0, has other registry numbers including (1) 133394-59-9 ; (2) 243121-01-9 ; (3) 280144-19-6 ; (4) 53192-27-1 ; (5) 57350-77-3 ; (6) 63525-90-6 ; (7) 66368-96-5 ; (8) 824958-44-3 ; (9) 88357-62-4. It belongs to the classification codes of Agricultural Chemical; Air Pollutants; Air Pollutants, occupational; Cross-Linking Reagents; Environmental Pollutants; Indicators and Reagents. Its systematic name and IUPAC name are the same which is called 1,6-diisocyanatohexane . This chemical has its several superlist names which are (1) HDI ; (2) Hexamethylene diisocyanate ; (3) Hexamethylene diisocyanate [UN2281] [Poison] ; (4) Hexamethylene diisocyanate, 1,6- ; (5) Hexamethylene-1,6-diisocyanate ; (6) Hexamethylene-1,6-diisocyanate [Diisocyanates] ; (7) Isocyanic acid, hexamethylene ester ; (8) UN2281 . 

Physical properties about this chemical are: (1) ACD/LogP: 3.03 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.03 ; (4) ACD/LogD (pH 7.4): 3.03 ; (5) ACD/BCF (pH 5.5): 118.2 ; (6) ACD/BCF (pH 7.4): 118.2 ; (7) ACD/KOC (pH 5.5): 1059.73 ; (8) ACD/KOC (pH 7.4): 1059.73 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 7 ; (12) Index of Refraction: 1.483 ; (13) Molar Refractivity: 47.22 cm3 ; (14) Molar Volume: 165.2 cm3 ; (15) Surface Tension: 39.3 dyne/cm ; (16) Density: 1.01 g/cm3 ; (17) Flash Point: 140 °C ; (18) Enthalpy of Vaporization: 49.25 kJ/mol ; (19) Boiling Point: 255 °C at 760 mmHg ; (20) Vapour Pressure: 0.0167 mmHg at 25°C ; (21) Melting point: -55 oC ; (22) Refractive index: 1.451-1.453; (23) Sensitive: Moisture Sensitive.

Preparation of  1,6-Diisocyanatohexane : this chemical can be prepared by octanedioic acid .


This reaction needs reagent 1,8-bis (dimethylamino) naphthalene , solvent tetrahydrofuran and other condition like heating. The reaction time is 6 hours with yield of 76.1%.

Uses of  1,6-Diisocyanatohexane : It mainly used to prepare other chemicals. Here is a example, it can react with 2-hydrazino-ethanol to give hexamethylenedi[2-(b-hydroxyethyl)-4-semicarbazide] .


This reaction is a kind of addition reaction. It occurs in solvent propan-2-ol at temperature of 10 ℃. The yield is about 89%.

When you are using this chemical, please be cautious about it as the following:
Poison by inhalation and intravenous routes. Moderately toxic by ingestion and skin contact. Potentially explosive reaction with alcohols and base. When heated to decomposition it emits toxic fumes of NOx.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C=N\CCCCCC/N=C=O;
(2)InChI:InChI=1/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2;
(3)InChIKey:RRAMGCGOFNQTLD-UHFFFAOYAI

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 30mg/m3 (30mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 74, 1982.
mouse LD50 intravenous 5600ug/kg (5.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07805,
mouse LD50 oral 350mg/kg (350mg/kg)   Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.
rabbit LD50 skin 570uL/kg (0.57mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LCLo inhalation 60mg/m3/4H (60mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 12(10), Pg. 40, 1968.
rat LD50 oral 710uL/kg (0.71mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

【Report】

The 1,6-Diisocyanatohexane , with cas registry number of 822-06-0, has other registry numbers including (1) 133394-59-9 ; (2) 243121-01-9 ; (3) 280144-19-6 ; (4) 53192-27-1 ; (5) 57350-77-3 ; (6) 63525-90-6 ; (7) 66368-96-5 ; (8) 824958-44-3 ; (9) 88357-62-4. It belongs to the classification codes of Agricultural Chemical; Air Pollutants; Air Pollutants, occupational; Cross-Linking Reagents; Environmental Pollutants; Indicators and Reagents. Its systematic name and IUPAC name are the same which is called 1,6-diisocyanatohexane . This chemical has its several superlist names which are (1) HDI ; (2) Hexamethylene diisocyanate ; (3) Hexamethylene diisocyanate [UN2281] [Poison] ; (4) Hexamethylene diisocyanate, 1,6- ; (5) Hexamethylene-1,6-diisocyanate ; (6) Hexamethylene-1,6-diisocyanate [Diisocyanates] ; (7) Isocyanic acid, hexamethylene ester ; (8) UN2281 . 

Physical properties about this chemical are: (1) ACD/LogP: 3.03 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 3.03 ; (4) ACD/LogD (pH 7.4): 3.03 ; (5) ACD/BCF (pH 5.5): 118.2 ; (6) ACD/BCF (pH 7.4): 118.2 ; (7) ACD/KOC (pH 5.5): 1059.73 ; (8) ACD/KOC (pH 7.4): 1059.73 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 7 ; (12) Index of Refraction: 1.483 ; (13) Molar Refractivity: 47.22 cm3 ; (14) Molar Volume: 165.2 cm3 ; (15) Surface Tension: 39.3 dyne/cm ; (16) Density: 1.01 g/cm3 ; (17) Flash Point: 140 °C ; (18) Enthalpy of Vaporization: 49.25 kJ/mol ; (19) Boiling Point: 255 °C at 760 mmHg ; (20) Vapour Pressure: 0.0167 mmHg at 25°C ; (21) Melting point: -55 oC ; (22) Refractive index: 1.451-1.453; (23) Sensitive: Moisture Sensitive.

Preparation of  1,6-Diisocyanatohexane : this chemical can be prepared by octanedioic acid .


This reaction needs reagent 1,8-bis (dimethylamino) naphthalene , solvent tetrahydrofuran and other condition like heating. The reaction time is 6 hours with yield of 76.1%.

Uses of  1,6-Diisocyanatohexane : It mainly used to prepare other chemicals. Here is a example, it can react with 2-hydrazino-ethanol to give hexamethylenedi[2-(b-hydroxyethyl)-4-semicarbazide] .


This reaction is a kind of addition reaction. It occurs in solvent propan-2-ol at temperature of 10 ℃. The yield is about 89%.

When you are using this chemical, please be cautious about it as the following:
Poison by inhalation and intravenous routes. Moderately toxic by ingestion and skin contact. Potentially explosive reaction with alcohols and base. When heated to decomposition it emits toxic fumes of NOx.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C=N\CCCCCC/N=C=O;
(2)InChI:InChI=1/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2;
(3)InChIKey:RRAMGCGOFNQTLD-UHFFFAOYAI

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 30mg/m3 (30mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 74, 1982.
mouse LD50 intravenous 5600ug/kg (5.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07805,
mouse LD50 oral 350mg/kg (350mg/kg)   Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.
rabbit LD50 skin 570uL/kg (0.57mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LCLo inhalation 60mg/m3/4H (60mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 12(10), Pg. 40, 1968.
rat LD50 oral 710uL/kg (0.71mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

Hexamethylenediamine + phosgene (phosgenation)
U.S. Production

This is a high volume chemical with production exceeding 1 million pounds annually in the U.S.
【Usage】
Component of polyurethane elastomers, coatings.
【Sampling Procedures】
NIOSH Method 5521. Analyte: Hexamethylene diisocyanate. Matrix: Air. Sampler: Impinger (solution of 1-(2-methoxy phenyl)-piperazine in toluene). Flow Rate: 1 l/min. Sample Size: 100 liters. Shipment: Ship in screw-cap vial refrigerated at 4 deg C or lower. Sample Stability: May be unstable; perform steps 8 and 9 as soon as possible.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Any substance in the air which could, if present in high enough concentration, harm humans, animals, vegetation or material. Substances include GASES; PARTICULATE MATTER; and volatile ORGANIC CHEMICALS.
- Air pollutants found in the work area. They are usually produced by the specific nature of the occupation.
- Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
AQUATIC FATE: Hexamethylene diisocyanate is not likely to be found in waste water streams because of its reactivity with water and tendency to form amine or urea derivatives.
ATMOSPHERIC FATE: While in the atmosphere hexamethylene diisocyanate is expected to undergo photolysis, hydroxyl radical oxidations and other reactions.
TERRESTRIAL FATE: Hexamethylene diisocyanate reacts readily with water to form amines and polyureas(1,2); therefore, reaction with water will be the dominant fate process in moist soil and leaching of monomeric hexamethylene diisocyanate in soil should not be important(SRC).
AQUATIC FATE: Hexamethylene diisocyanate is not likely to be found in waste water streams because of its reactivity with water and tendency to form amine or urea derivatives(1,2); therefore, adsorption to suspended solids and sediment is not expected. Since hexamethylene diisocyanate reacts with water to form amines and urea, there is very little chance that it will accumulate in the food chain as monomeric hexamethylene diisocyanate(3).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), hexamethylene diisocyanate, which has a vapor pressure of 0.5 mm Hg at 25 deg C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase hexamethylene diisocyanate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 16 hours(SRC), calculated from its rate constant of 7.9X10-12 cu cm/molecule-sec at 25 deg C(SRC) determined using a structure estimation method(3). Since hexamethylene diisocyanate reacts readily with water(4), atmospheric degradation may occur through contact with clouds, fog or rain(SRC).

Supplier Location

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