Bromobenzyl cyanide

Modify Date: 2024-01-12 12:23:23

Bromobenzyl cyanide Structure
Bromobenzyl cyanide structure
Common Name Bromobenzyl cyanide
CAS Number 5798-79-8 Molecular Weight 196.044
Density 1.5±0.1 g/cm3 Boiling Point 228.0±20.0 °C at 760 mmHg
Molecular Formula C8H6BrN Melting Point 29ºC
MSDS N/A Flash Point 91.7±21.8 °C

 Names

Name 2-bromo-2-phenylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 228.0±20.0 °C at 760 mmHg
Melting Point 29ºC
Molecular Formula C8H6BrN
Molecular Weight 196.044
Flash Point 91.7±21.8 °C
Exact Mass 194.968353
PSA 23.79000
LogP 2.34
Vapour Pressure 0.1±0.5 mmHg at 25°C
Index of Refraction 1.585

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Bromobenzyl cyanide
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:Bromobenzyl cyanide
CAS number:5798-79-8

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C8H6BrN
Molecular weight:196.0

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL8050000
CHEMICAL NAME :
Acetonitrile, bromophenyl-
CAS REGISTRY NUMBER :
5798-79-8
BEILSTEIN REFERENCE NO. :
1862309
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H6-Br-N
MOLECULAR WEIGHT :
196.06
WISWESSER LINE NOTATION :
NCYER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,32,1953
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1160 mg/m3/10M
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report. Volume(issue)/page/year: NDCrc-132,Aug,1942

 Safety Information

RIDADR UN 1694
Packaging Group I
Hazard Class 6.1(a)
HS Code 2926909090

 Synthetic Route

~84%

Bromobenzyl cyanide Structure

Bromobenzyl cyanide

CAS#:5798-79-8

Literature: Eberbach, Wolfgang; Roser, Joachim Tetrahedron, 1986 , vol. 42, # 8 p. 2221 - 2234

~59%

Bromobenzyl cyanide Structure

Bromobenzyl cyanide

CAS#:5798-79-8

Literature: Matveeva, Elena D.; Podrugina, Tatyana A.; Tishkovskaya, Elena V.; Zefirov, Nikolai S. Mendeleev Communications, 2003 , vol. 13, # 6 p. 260 - 262

~%

Bromobenzyl cyanide Structure

Bromobenzyl cyanide

CAS#:5798-79-8

Literature: WO2005/120516 A2, ; Page/Page column 47; 48 ;

~%

Bromobenzyl cyanide Structure

Bromobenzyl cyanide

CAS#:5798-79-8

Literature: Journal of the American Chemical Society, , vol. 71, p. 4152

~%

Bromobenzyl cyanide Structure

Bromobenzyl cyanide

CAS#:5798-79-8

Detail
Literature: Chemische Berichte, , vol. 36, p. 2652

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

a-Bromo-a-tolunitrile
Bromobenzylnitrile
a-Bromobenzyl Cyanide
B.B.C.
a-Bromobenzeneacetonitrile
Acetonitrile,bromophenyl
a-Bromophenylacetonitrile
CA (Tear gas)
Benzeneacetonitrile, α-bromo- (9CI)
Benzeneacetonitrile, α-bromo-
Camite
Bromobenzyl cyanide
Brombenzyl cyanide
benzyl cyanide
α-Bromobenzyl cyanide
α-Bromophenylacetonitrile
Bromo(phenyl)acetonitrile
bromo-phenyl-acetonitrile
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