4-Bromobenzonitrile

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Names

[ CAS No. ]:
623-00-7

[ Name ]:
4-Bromobenzonitrile

[Synonym ]:
bromobenzonitrile-4
4-cyanobromobenzene
p-bromobenzonitrile
MFCD00001811
4-Bromocyanobenzene
para-bromobenzonitrile
Benzonitrile,p-bromo
4-Bromobenzonitrile
4-Brombenzolcarbonitril
4-bromobenzene-carbonitrile
EINECS 210-764-9
Benzonitrile, 4-bromo-
Benzonitrile,4-bromo
1-Bromo-4-cyanobenzene

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
236.8±13.0 °C at 760 mmHg

[ Melting Point ]:
110-115 °C(lit.)

[ Molecular Formula ]:
C₇H₄BrN

[ Molecular Weight ]:
182.017

[ Flash Point ]:
97.0±19.8 °C

[ Exact Mass ]:
180.952698

[ PSA ]:
23.79000

[ LogP ]:
2.42

[ 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 :: DI2460000

CHEMICAL NAME :: Benzonitrile, 4-bromo-

CAS REGISTRY NUMBER :: 623-00-7

LAST UPDATED :: 199007

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H4-Br-N

MOLECULAR WEIGHT :: 182.03

WISWESSER LINE NOTATION :: NCR DE

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 :: 237 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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

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

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 41,41,1986

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

[ 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 ]:
S61-S36/37/39-S26

[ RIDADR ]:
UN 3439 6.1/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
DI2460000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29269095

Precursor & DownStream

Precursor

DownStream

4-CYANOPHENYL CYCLOPENTYL KETONE
tert-butyl 3-(4-cyanophenyl)prop-2-enoate
3-(4-CYANOPHENYL)-1-PROPENE
Benzonitrile
(E)-4-(prop-1-en-1-yl)benzonitrile
4-Propanoylbenzonitrile
4-(5-FORMYL-FURAN-2-YL)-BENZONITRILE
4-(dibenzylamino)benzonitrile
p-Tolunitrile
P-CYANOACETOPHENONE

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%

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