4-Chlorobenzonitrile

Names

[ CAS No. ]:
623-03-0

[ Name ]:
4-Chlorobenzonitrile

[Synonym ]:
p-chlorobenzonitrile
4-chloro-benzonitrile
para-chloro-benzonitrile
MFCD00001813
EINECS 210-765-4
4-chloro-benzonitril
p-Chlorbenzonitril
P-CHLORBENZONITRILE
4-Chlorbenzolcarbonitril
Benzonitrile, 4-chloro-
para-cyano chlorobenzene
p-Chlorotolunitrile
4-Chlorobenzonitrile
1-chloro-4-cyanobenzene
PCBN
p-chloro-benzonitril
p-chlorobenzylnitrile
4-CYANOCHLOROBENZENE

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
223.0±0.0 °C at 760 mmHg

[ Melting Point ]:
90-93 °C(lit.)

[ Molecular Formula ]:
C₇H₄ClN

[ Molecular Weight ]:
137.566

[ Flash Point ]:
86.2±14.8 °C

[ Exact Mass ]:
137.003220

[ PSA ]:
23.79000

[ LogP ]:
2.20

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.563

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI2800000

CHEMICAL NAME :: Benzonitrile, p-chloro-

CAS REGISTRY NUMBER :: 623-03-0

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C7-H4-Cl-N

MOLECULAR WEIGHT :: 137.57

WISWESSER LINE NOTATION :: NCR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,908,1986 ** 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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

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

[ Hazard Codes ]:
Xn:Harmful

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

[ Safety Phrases ]:
S23-S26-S36

[ RIDADR ]:
3439

[ WGK Germany ]:
2

[ RTECS ]:
DI2800000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
29269095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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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Purification and characterization of a nitrilase from Aspergillus niger K10.

Appl. Microbiol. Biotechnol. 73(3) , 567-75, (2006)

Aspergillus niger K10 cultivated on 2-cyanopyridine produced high levels of an intracellular nitrilase, which was partially purified (18.6-fold) with a 24% yield. The N-terminal amino acid sequence of...