3-Chlorobenzonitrile

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Names

[ CAS No. ]:
766-84-7

[ Name ]:
3-Chlorobenzonitrile

[Synonym ]:
3-chlorobenzylnitrile
3-Chloro-benzonitrile
M-chloro benzonitrile
1-chloro-3-cyanobenzene
m-Chlorobenzonitrile
3-Chlorbenzolcarbonitril
Benzonitrile, 3-chloro-
meta-cyano chlorobenzene
m-Cyanochlorobenzene
3-Chlorobenzonitrile
Benzonitrile,3-chloro
meta-chloro-benzonitrile
BENZONITRILE,m-CHLORO
MFCD00001798
EINECS 212-172-6

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
203.4±13.0 °C at 760 mmHg

[ Melting Point ]:
38-40 °C(lit.)

[ Molecular Formula ]:
C7H4ClN

[ Molecular Weight ]:
137.566

[ Flash Point ]:
97.2±0.0 °C

[ Exact Mass ]:
137.003220

[ PSA ]:
23.79000

[ LogP ]:
2.35

[ Vapour Pressure ]:
0.3±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 :
DI2600000
CHEMICAL NAME :
Benzonitrile, m-chloro-
CAS REGISTRY NUMBER :
766-84-7
LAST UPDATED :
198611
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H4-Cl-N
MOLECULAR WEIGHT :
137.57

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/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

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R21/22;R36

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
3439

[ WGK Germany ]:
3

[ RTECS ]:
DI2600000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29269095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (3-Chlorophenyl)methanamine
  • (NZ)-N-[(3-chlorophenyl)methylidene]hydroxylamine
  • 3-Chlorobenzaldehyde
  • 3-Chlorobenzyl alcohol
  • 1-Bromo-3-chlorobenzene
  • POTASSIUM CYANIDE
  • 3-CHLOROBENZAMIDE
  • (3-Cyanophenyl)boronic acid
  • sodium cyanide
  • 1-Chloro-3-iodobenzene

DownStream

  • 3-phenylsulfanylbenzonitrile
  • bupropion
  • 3'-Chloropropiophenone
  • 3-diphenylphosphanylbenzonitrile
  • tert-Butyl (3-cyanophenyl)carbamate
  • 5-(3-chlorophenyl)-1h-tetrazole
  • 4-Chloro-N-hydroxybenzenecarboximidamide
  • Hydroxybupropion
  • 3-Fluorobenzonitrile
  • Benzonitrile

Customs

[ HS Code ]: 29269095

Related Compounds

  • 3-chlorobenzonitrile oxide
  • 2-Bromo-3-chlorobenzonitrile
  • 4-Bromo-3-chlorobenzonitrile
  • 4-Amino-3-chlorobenzonitrile
  • 2-Amino-3-chlorobenzonitrile
  • 4-nitro-3-chlorobenzonitrile
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • Methyl 2-amino-2-(2-bromophenyl)propanoate
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 1-(Bromomethyl)-1-(cyclopentylmethoxy)cyclohexane