CAS 623-03-0|4-Chlorobenzonitrile

Introduction：Basic information about CAS 623-03-0|4-Chlorobenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles1
7. Synonyms

Common Name	4-Chlorobenzonitrile
CAS Number	623-03-0	Molecular Weight	137.566
Density	1.2±0.1 g/cm3	Boiling Point	223.0±0.0 °C at 760 mmHg
Molecular Formula	C₇H₄ClN	Melting Point	90-93 °C(lit.)
MSDS	ChineseUSA	Flash Point	86.2±14.8 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	4-Chlorobenzonitrile
Synonym	More Synonyms

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
InChIKey	GJNGXPDXRVXSEH-UHFFFAOYSA-N
SMILES	N#Cc1ccc(Cl)cc1
Water Solubility	insoluble

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

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%

Articles1

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...

Synonyms

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

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