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Guanidine nitrate(CAS No. 506-93-4)

Guanidine nitrate CH5N3?HNO3;CH6N4O3 (cas 506-93-4) Molecular Structure

506-93-4 Structure

Identification and Related Records

【Name】
Guanidine nitrate
【CAS Registry number】
506-93-4
【Synonyms】
Guanidine, mononitrate
Carbamidinenitrate
guanidinenitrate(1:1)
Iminoureamitrate
Uraminenitrate
Guanidine mononitrate
GUANIDINIUM NITRATE
GUN
【EINECS(EC#)】
208-060-1
【Molecular Formula】
CH5N3?HNO3;CH6N4O3 (Products with the same molecular formula)
【Molecular Weight】
122.08
【Inchi】
InChI=1/CH5N3.HNO3/c2*2-1(3)4/h(H5,2,3,4);(H,2,3,4)
【InChIKey】
CNUNWZZSUJPAHX-UHFFFAOYSA-N
【Canonical SMILES】
C(=N)(N)N.[N+](=O)(O)[O-]
【MOL File】
506-93-4.mol

Chemical and Physical Properties

【Appearance】
solid
【Density】
1.44
【Melting Point】
212-215℃
【Boiling Point】
132.9 °C at 760 mmHg
【Flash Point】
34.2 °C
【Water】
130 g/L (20℃)
【Solubilities】
130 g/L (20 °C)
【Color/Form】
Crystalline powder
【Stability】
May explode if heated. May be shock sensitive.
【HS Code】
29252000
【Storage temp】
Keep away from heat, sparks, and flame. Do not store near combustible materials. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Spectral properties】
IR: 15051 (Sadtler Research Laboratories IR Grating Collection)
NMR: 13305 (Sadtler Research Laboratories Spectral Collection)
【Computed Properties】
Molecular Weight:122.08334 [g/mol]
Molecular Formula:CH6N4O3
H-Bond Donor:4
H-Bond Acceptor:4
Rotatable Bond Count:0
Exact Mass:122.04399
MonoIsotopic Mass:122.04399
Topological Polar Surface Area:142
Heavy Atom Count:8
Formal Charge:0
Complexity:51
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:2

Safety and Handling

【Hazard Codes】
O:Oxidizingagent;
【Risk Statements】
R8
【Safety Statements 】
S15;S17
【HazardClass】
5.1
【PackingGroup 】
III
【Skin, Eye, and Respiratory Irritations】
Exposure by inhalation causes sore throat & cough; exposure to skin and eyes causes redness & pain.
【Cleanup Methods】
Evacuate danger area and consult an expert in case of large spill. Do NOT wash away into sewer. Do NOT let this chemical enter the environment. Do NOT absorb in saw-dust or other combustible absorbents. Sweep spilled substance into covered containers; if appropriate, moisten first to prevent dusting.
【Transport】
UN 1467
【Fire Fighting Procedures】
If material on fire or involved in fire: Flood with water. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible.
Evacuation: If fire becomes uncontrollable - consider evacuation of one-half (1/2) mile radius.
【Fire Potential】
Explosive. Gives off irritating or toxic fumes (or gases) in a fire.
MAY IGNITE ORGANIC MATERIALS ON CONTACT...
【Formulations/Preparations】
Grades: 85 and 95% pure
【DOT Emergency Guidelines】
/GUIDE 143: OXIDIZERS (UNSTABLE)/ Fire or Explosion: May explode from friction, heat or contamination. These substances will accelerate burning when involved in a fire. May ignite combustibles (wood, paper, oil, clothing, etc.). Some will react explosively with hydrocarbons (fuels). Containers may explode when heated. Runoff may create fire or explosion hazard.
/GUIDE 143: OXIDIZERS (UNSTABLE)/ Health: TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns, or death. Fire may produce irritating and/or toxic gases. Toxic fumes or dust may accumulate in confined areas (basement, tanks, hopper/tank cars, etc.). Runoff from fire control or dilution water may cause pollution.
/GUIDE 143: OXIDIZERS (UNSTABLE)/ 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 closed spaces before entering.
/GUIDE 143: OXIDIZERS (UNSTABLE)/ 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 143: OXIDIZERS (UNSTABLE)/ 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 143: OXIDIZERS (UNSTABLE)/ Fire: Small fires: Use water. Do not use dry chemicals or foams. CO2 or Halon may provide limited control. Large fires: Flood fire area with water from a distance. Do not move cargo or vehicle if cargo has been exposed to heat. Move containers from fire area if you can do it without risk. Do not get water inside containers: a violent reaction may occur. Cool containers with flooding quantities of water until well after fire is out. Dike fire-control water for later disposal. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 143: OXIDIZERS (UNSTABLE)/ Spill or Leak: Keep combustibles (wood, paper, oil, etc.) away from spilled material. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Use water spray to reduce vapors or divert vapor cloud drift. Prevent entry into waterways, sewers, basements or confined areas. Small spills: Flush area with flooding quantities of water. Large spills: DO NOT CLEAN-UP OR DISPOSE OF, EXCEPT UNDER SUPERVISION OF A SPECIALIST.
/GUIDE 143: OXIDIZERS (UNSTABLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. Contaminated clothing may be a fire risk when dry. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Keep victim warm and quiet. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
【Other Preventative Measures】
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers.
Personnel protection: ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. Approach fire with caution.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
【Protective Equipment and Clothing】
Exposure by inhalation causes sore throat & cough; exposure to skin and eyes causes redness & pain.
【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

No practical method exists for the direct synthesis of free guanidine. All major manufacturing processes therefore involve the production of guanidine salts by reaction of the appropriate ammonium salt with compounds containing the NCN group. At present, only dicyandiamide, cyanamide, and urea are used for large-scale production of guanidine salts. /Guanidine salts/
Dicyandiamide (85 parts) and ammonium nitrate (180 parts) are mixed and dosed by a screw into a heated stirring vessel where the mixture is melted down. The melt is then run into a cascade of two further vessels where the main reaction occurs. The hot molten mass is subsequently dissolved in mother liquor to give a warm salt solution, which is pumped through a filter (to remove solid triazines) and cooled in a continuously operating crystallizer. The crystallized guanidine nitrate is centrifuged, dried, and stored. This process is conducted on a technical scale for guanidine nitrate ... .
Melting urea with ammonium nitrate in presence of a silica catalyst at 120-200?C gives guanidine nitrate in high yield ... Reaction safety hazard problems, difficulties recycling off-gases and the ammonium nitrate excess, and problems with the re-usage of the spent catalyst have prevented to date from large scale realization of this process.
U.S. Production

Guanidine, mononitrate is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
Production volumes for non-confidential chemicals reported under the Inventory Update Rule. Year Production Range (pounds) 1986 >1 million - 10 million 1990 >10 million - 50 million 1994 10 thousand - 500 thousand 1998 10 thousand - 500 thousand 2002 10 thousand - 500 thousand
【Usage】

Medication: striated muscle stimulant.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here.

Supplier Location

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