2-Bromobenzonitrile

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Names

[ CAS No. ]:
2042-37-7

[ Name ]:
2-Bromobenzonitrile

[Synonym ]:
Benzonitrile,o-bromo
1-Bromo-2-cyanobenzene
Benzonitrile,2-bromo
2-Bromobenzonitrile
NCR BE
2-cyanophenyl bromide
2-Bromobenzenecarbonitrile
2-Cyanobromobenzene
o-bromobenzonitrile
bromobenzonitrile
Benzonitrile, 2-bromo-
2-bromo-benzonitrile
o-Bromocyanobenzene
MFCD00001772
EINECS 218-045-1

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
252.0±0.0 °C at 760 mmHg

[ Melting Point ]:
53-57 °C(lit.)

[ Molecular Formula ]:
C₇H₄BrN

[ Molecular Weight ]:
182.017

[ Flash Point ]:
113.7±22.6 °C

[ Exact Mass ]:
180.952698

[ PSA ]:
23.79000

[ LogP ]:
2.23

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.606

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI2459750

CHEMICAL NAME :: Benzonitrile, 2-bromo-

CAS REGISTRY NUMBER :: 2042-37-7

BEILSTEIN REFERENCE NO. :: 2042185

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H4-Br-N

MOLECULAR WEIGHT :: 182.03

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,906,1978

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S22-S24/25-S36/37/39-S26

[ RIDADR ]:
3276

[ WGK Germany ]:
2

[ RTECS ]:
DI2459750

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Bromobenzaldoxime
aminobenzonitrile
2-Bromobenzaldehyde
ethyl 2-azido-2-(2-bromophenyl)acetate
Benzonitrile
2-Bromotoluene
1-(2-Bromophenyl)methanamine
Sulfamide
2-Bromobenzoyl chloride
2-Bromostyrene

DownStream

2-hex-1-ynylbenzonitrile
2-(Trifluoromethyl)benzonitrile
Benzonitrile
2-Iodobenzonitrile
1,3-Difluorobenzene
TRIFLUOROMETHOXYBENZENE
2-Fluorobenzonitrile
2-Diphenylphosphinobenzaldehyde
Ethyl 3-(2-bromophenyl)-3-oxopropanoate
2-ETHYNYL-BENZONITRILE

Customs

[ HS Code ]: 2926909033

[ Summary ]:
HS:2926909033 2-bromobenzonitrile VAT:17.0% Tax rebate rate:9.0% Supervision conditions:S MFN tariff:6.5% General tariff:30.0%