Related Searches: Bromoethane

Bromoethane(CAS No. 74-96-4)

Bromoethane C2H5Br (cas 74-96-4) Molecular Structure

74-96-4 Structure

Identification and Related Records

【Name】
Bromoethane
【Iupac name】
bromoethane
【CAS Registry number】
74-96-4
【Synonyms】
Ethyl bromide
Bromoethane
Bromoethane Ethyl bromide
【EINECS(EC#)】
200-825-8
【Molecular Formula】
C2H5Br (Products with the same molecular formula)
【Molecular Weight】
108.97
【Inchi】
InChI=1/C2H5Br/c1-2-3/h2H2,1H3
【InChIKey】
RDHPKYGYEGBMSE-UHFFFAOYSA-N
【Canonical SMILES】
CCBr
【MOL File】
74-96-4.mol

Chemical and Physical Properties

【Appearance】
colourless liquid with an ether-like odour
【Density】
1.46
【Melting Point】
-119℃
【Boiling Point】
37-40℃
【Refractive Index】
1.4225-1.4245
【Flash Point】
-23℃
【Water】
0.91 g/100 mL (20℃)
【Solubilities】
0.91 g/100 mL (20 °C) in water
【Color/Form】
Colorless to yellow liquid ... [Note: A gas above 101 degrees F].
【Stability】
Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. Incompatible with alkali metals, aluminium, magnesium, strong bases, water, strong oxidizing agents. May be light sensitive.
【Storage temp】
Refrigerator
【Spectral properties】
Index of refraction: 1.42386 @ 25 deg C
Index of refraction 1.4242 @ 20 deg C/D
IR: 5930 (Coblentz Society Spectral Collection)
1H NMR: 10 (Varian Associates NMR Spectra Catalogue)
MASS: 1450 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
C-13 NMR: 133 (Stothers, Carbon-13 NMR scectroscopy, Academic Press, New York)
【Computed Properties】
Molecular Weight:108.9651 [g/mol]
Molecular Formula:C2H5Br
XLogP3-AA:1.4
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:0
Exact Mass:107.957463
MonoIsotopic Mass:107.957463
Topological Polar Surface Area:0
Heavy Atom Count:3
Formal Charge:0
Complexity:2.8
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 Hydrophobe Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
F:Flammable
【Risk Statements】
R11;R20/22;R40
【Safety Statements 】
S36/37
【HazardClass】
6.1
【Safety】

Safty information about Bromoethane (CAS NO.74-96-4) is:
Hazard Codes:?F,Xn
Risk Statements: 11-20/22-40?
R11:Highly flammable.?
R20/22:Harmful by inhalation and if swallowed.?
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 36/37
RIDADR: UN 1891 6.1/PG 2
WGK Germany: 1
RTECS: KH6475000
F: 8
HazardClass: 6.1
PackingGroup: II

【PackingGroup 】
II
【Sensitive】
Light Sensitive
【Skin, Eye, and Respiratory Irritations】
/Irritates/ eyes and respiratory tract.
Its vapors are markedly irritating to the lungs on inhalation for even short periods.
【Cleanup Methods】
Absorb the spills with paper towels or the like materials. Place in hood to evaporate. Dispose by burning the towel.
【Transport】
UN 1891
【Fire Fighting Procedures】
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.
【Fire Potential】
Dangerously flammable by heat, open flame (sparks), oxidizers.
【Formulations/Preparations】
Grade: Technical (98%)
【DOT Emergency Guidelines】
/GUIDE 131: FLAMMABLE LIQUIDS-TOXIC/ Health: TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
/GUIDE 131: FLAMMABLE LIQUIDS-TOXIC/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
/GUIDE 131: FLAMMABLE LIQUIDS-TOXIC/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.
/GUIDE 131: FLAMMABLE LIQUIDS-TOXIC/ 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 131: FLAMMABLE LIQUIDS-TOXIC/ 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 131: FLAMMABLE LIQUIDS-TOXIC/ Fire: CAUTION: All these products have a very low flash point. Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Large fires: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. 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. 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. For massive fire use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 131: FLAMMABLE LIQUIDS-TOXIC/ Spill or Leak: Fully encapsulating, vapor protective clothing should be worn for spills and leaks with no fire. 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 or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Small spills: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.
/GUIDE 131: FLAMMABLE LIQUIDS-TOXIC/ 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. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. 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】
Explosion may occur by an impact with the mixture of this substance with alkali metals.
Can react with sodium, potassium, calcium, powdered aluminum, zinc and magnesium.
Chemically-active metals such as sodium, potassium, calcium, powdered aluminum, zinc & magnesium.
The vigorous interaction of ethanol, phosphorus, and bromine to give bromoethane is considered too dangerous for a school experiment.
Reacts with water or steam to produce toxic & corrosive fumes. Vigorous reaction with oxidizing materials.
Vigorous reaction with oxidizing materials.
【Other Preventative Measures】
Skin that becomes wet with liquid ethyl bromide should be promptly washed or showered with soap or mild detergent and water to remove any ethyl bromide.
The industrial buildings in which ... bromoethane is processed should be constructed of materials that do not absorb the substance, for example of ceramic or similar materials with special linings.
Steps should be taken to ensure the elimination of leaks in equipment and ducting. Equipment for the manufacture of bromine and its cmpd must be made of materials that will resist the corrosive action of these substances. Ducts should be made of ceramic material or special glass and the substances should be conveyed by means of inert gas under pressure, by vacuum or by the use of glandless pumps. Continuous supervision of the gas-tightness of equipment and ducting and of the atmospheric concn of toxic substances is essential. The workplace should have good general ventilation and places where gas may escape should be provided with local exhaust ventilation.
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.
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.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard.
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. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.
Personnel protection: Avoid breathing vapors. Keep upwind. ... Avoid bodily contact with the material. Do not handle broken packages unless wearing appropriate personal protective equipment. ...
【Protective Equipment and Clothing】
Wear safety glasses, rubber gloves, self-contained breathing apparatus, protective work gown.
Respirator selection: 2,000 ppm: Supplied-air respirator and self-contained breathing apparatus; 3,500 ppm: Supplied-air respirator with full facepiece, helmet or hood; or self-contained breathing apparatus with full facepiece; or type C supplied-air respirator with full facepiece operated in pressure-demand or other positive pressure mode or with full facepiece, helmet, or hood operated in continuous-flow mode. Escape: Gas mask with organic vapor canister or self-contained breathing apparatus.
Clothing contaminated with liquid ethyl bromide should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of ethyl bromide from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the ethyl bromide, the person performing the operation should be informed of ethyl bromide's hazardous properties. ... Employees should be provided with and required to use splash-proof safety goggles where liquid ethyl bromide may contact the eyes.
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Recommendations for respirator selection. Max concn for use: 2000 ppm. Respirator Class(es): Any supplied-air respirator. Any self-contained breathing apparatus with a full facepiece.
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 with a full facepiece and operated in 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】

?Bromoethane , its cas register number is 74-96-4. It also can be called Ethyl bromide ; Bromic ether ; Bromure d'ethyle ; Ethane, bromo- ; Hydrobromic ether ; Monobromoethane .It is a?colourless liquid with an ether-like odour.It slightly soluble in water and denser than water.It will react with steam to produce toxic and corrosive fumes.?It can react vigorously with oxidizers. It reacts with strong bases. It also reacts with chemically active metals such as sodium, potassium, calcium, powdered aluminum, zinc and magnesium. It will attack some forms of plastics, rubber and coatings.

【Octanol/Water Partition Coefficient】
log Kow = 1.61
【Report】

No epidemiological data relevant to the carcinogenicity of bromoethane were avlable.There is limited evidence in experimental animals for the carcinogenicity of bromoethane.Bromoethance is not classifiable as to its carcinogenicity to humans(Group 3).

【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.
Dissolve in a combustible solvent. Scatter the spray of the solution into the furnace with afterburner and alkali scrubber.
Ethyl bromide should not be allowed to enter a confined space, such as a sewer, because of the possibility of an explosion. Sewers designed to preclude the formation of explosive concentrations of ethyl bromide vapors are permitted.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

Made by distilling a mixture of hydrogen bromide, ethyl alcohol and sulfuric acid, by phosphorus and bromine method.
The reaction of ethane with sulfur trioxide and potassium bromide at 300-325 deg C produces ethyl bromide with a 91% yield based on ethane.
Ethyl bromide is produced by refluxing ethanol with hydrobromic acid, or with an alkali bromide and sulfuric acid.
U.S. Production

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 1.36X10+6 GRAMS
【Sampling Procedures】
NIOSH Method 1011. Analyte: Ethyl bromide. Matrix: Air. Sampler: Solid sorbent tube (coconut shell charcoal, 100 mg/50 mg). Flow Rate: 0.01 to 0.02 l/min. Sample Size: 4 liters. Shipment: not identified. Sample stability: not known.

Biomedical Effects and Toxicity

【Pharmacological Action】
TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
【Therapeutic Uses】
Former: ... Topical and inhalation anesthetic.
【Biomedical Effects and Toxicity】
... MAY ENTER BODY THROUGH SKIN OR RESPIRATORY TRACT.
Unchanged bromoethane account for approximately 70% of the dose in the expired air of rats dosed orally by gavage.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 179(SRC), determined from a log Kow of 1.61(2) and a regression-derived equation(3), indicates that ethyl bromide is expected to have moderate mobility in soil(SRC). The detection of ethyl bromide in landfill leachates has demonstrated that environmental leaching does occur(4). Volatilization of ethyl bromide from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 7.4X10-3 atm-cu m/mole(5). Based upon aqueous hydrolysis half-lives of 40 and 30 days at pH 7 and at 20 and 25 deg C(6,7), respectively, ethyl bromide should hydrolyze in moist soils. The potential for volatilization of ethyl bromide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 467 mm Hg(8). Ethyl bromide, present at 100 mg/l, reached 13-45% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(9), suggesting that biodegradation in soil may occur(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 179(SRC), determined from a log Kow of 1.61(2) and a regression-derived equation(3), indicates that ethyl bromide is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 7.4X10-3 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.1 hrs and 4.2 days, respectively(SRC). Ethyl bromide hydrolyzes in water; the aqueous hydrolysis half-lives at pH 7 and at 20 and 25 deg C are 40 and 30 days, respectively(5,6). According to a classification scheme(7), an estimated BCF of 3.5(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Ethyl bromide, present at 100 mg/l, reached 13-45% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(9), suggesting that biodegradation in water may occur(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ethyl bromide, which has a vapor pressure of 467 mm Hg at 25 deg C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase ethyl bromide 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 46 days(SRC), calculated from its rate constant of 3.50X10-13 cu cm/molecule-sec at 25 deg C(3).

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