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Home > Encyclopedia > α-Bromobenzeneacetonitrile

α-Bromobenzeneacetonitrile

α-Bromobenzeneacetonitrile structure

α-Bromobenzeneacetonitrile 

structure
  • CAS No:

    5798-79-8

  • Formula:

    C8H6BrN

  • Chemical Name:

    α-Bromobenzeneacetonitrile

  • Synonyms:

    Benzeneacetonitrile,α-bromo-;Acetonitrile,bromophenyl-;α-Bromobenzeneacetonitrile;α-Bromobenzyl cyanide;α-Bromo-α-tolunitrile;Camite;α-Bromobenzylnitrile;α-Bromophenylacetonitrile;2-Bromo-2-phenylacetonitrile;BBC

Description

Light yellow, gas, slightly water soluble, soluble in organic solvents.

α-Bromobenzeneacetonitrile Basic Attributes

196.044

196.04

227-348-8

1694

YELLOWISH CRYSTALS FROM DILUTE ALCOHOL

2926909090

Characteristics

23.79000

2.34

1.539 g/cm3 @ Temp: 29 °C

29 °C

242 °C @ Press: 760 Torr

91.7±21.8 °C

1.585

SLIGHTLY SOL IN WATER; FREELY SOL IN ALCOHOL, ETHER, ACETONE, CHLOROFORM, COMMON ORGANIC SOLVENTS; SOL IN PHOSGENE, CHLOROPICRIN, BENZYL CYANIDE

0.012 MM HG @ 20 DEG C

6.8 (AIR= 1)

LC (30 min.): 0.90 mg/l (A. M. Prentiss, Chemicals in War (McGraw-Hill, New York, 1937) p 141)

ODOR OF SOURED FRUIT

MELTS TO AN OILY LIQ JUST ABOVE ROOM TEMP|BROWN, OILY LIQUID /TECHNICAL PRODUCT/

Safety Information

I

6.1(a)

UN 1694

AL8050000

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

DISASTER HAZARD: SEE CYANIDES. DANGEROUS; ON CONTACT WITH ACID, ACID FUMES, WATER OR STEAM, THEY WILL PRODUCE...FLAMMABLE VAPORS. /CYANIDES/

/GUIDE 159: SUBSTANCES (IRRITATING)/ Health: Inhalation of vapors or dust is extremely irritating. May cause burning of eyes and flow of tears. May cause coughing, difficult breathing and nausea. Brief exposure effects last only a few minutes. Exposure in an enclosed area may be very harmful. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may cause pollution. /Bromobenzyl cyanides; Bromobenzyl cyanides, liquid; Bromobenzyl cyanides, solid/|/GUIDE 159: SUBSTANCES (IRRITATING)/ Fire or Explosion: Some of these materials may burn, but none ignite readily. Containers may explode when heated. /Bromobenzyl cyanides; Bromobenzyl cyanides, liquid; Bromobenzyl cyanides, solid/|/GUIDE 159: SUBSTANCES (IRRITATING)/ 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. /Bromobenzyl cyanides; Bromobenzyl cyanides, liquid; Bromobenzyl cyanides, solid/|/GUIDE 159: SUBSTANCES (IRRITATING)/ 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. /Bromobenzyl cyanides; Bromobenzyl cyanides, liquid; Bromobenzyl cyanides, solid/|For more DOT Emergency Guidelines (Complete) data for ALPHA-BROMOBENZYL CYANIDE (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

STRONG LACRIMATOR

Toxicity

SEE CYANIDES. WORKERS...WHO ARE DAILY EXPOSED TO CYANIDE SOLN MAY DEVELOP 'CYANIDE' RASH, CHARACTERIZED BY ITCHING, AND BY MACULAR, PAPULAR, AND VESICULAR ERUPTIONS. FREQUENTLY THERE IS SECONDARY INFECTION. /CYANIDES/|...EFFECTS OF VARIOUS LEVELS IN AIR... LOWEST DETECTABLE LEVEL: 0.09 MG/CU M; LOWEST IRRITANT CONCN: 0.15 MG/CU M; INTOLERABLE CONCN: 0.8 MG/CU M (10 MIN).

Drug Information

STRONG LACRIMATOR.|CHANGES INDUCED IN ONE HUMAN EYE... CORNEAL CORPUSCLES BECOME SWOLLEN & BROWNISH DURING FIRST 24 HR. THIS IS FOLLOWED BY INFILTRATION OF CORNEA BY MACROPHAGES, LOSS OF NORMAL ENDOTHELIAL REFLEX, & APPEARANCE OF FINE IRREGULARITY IN ENDOTHELIUM.|UNLIKELY TO LIBERATE MUCH CYANIDE, BUT IF CYANIDE TOXICITY IS PRESENT THEN TREAT FOR CYANIDE POISONING.|LETHAL CONCN: 0.90 MG/LITER (30 MIN)...

α-Bromobenzeneacetonitrile Use and Manufacturing

Methods of Manufacturing

PRACTICAL INDUSTRIAL PREPARATION CONSISTS OF 3 STEPS: (1) CHLORINATION OF TOLUENE TO FORM BENZYL CHLORIDE, (2) CONVERSION OF BENZYL CHLORIDE TO BENZYL CYANIDE BY ACTION OF SODIUM CYANIDE IN ALCOHOLIC SOLN... (3) BROMINATION OF BENZYL CYANIDE WITH BROMIDE VAPOR IN PRESENCE OF SUNLIGHT. STEINKOPF ET AL, BER 53, 1146 (1920); NEKRASSOV, J PRAKT CHEM 119, 108 (1928).

Uses

Tear gas in riot control and a war gas, and agri- cultural fungicide to control certain fungal diseases of stone fruit.

IRRITANT GAS USED BY MILITARY AND LAW ENFORCEMENT AGENCIES CAN BE DETERMINED BY GAS LIQ CHROMATOGRAPHY.

Computed Properties

Molecular Weight:196.04
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:194.96836
Monoisotopic Mass:194.96836
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:141
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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