3-Chlorobenzyl isothiocyanate

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Names

[ CAS No. ]:
3694-58-4

[ Name ]:
3-Chlorobenzyl isothiocyanate

[Synonym ]:
1-chloro-3-(isothiocyanatomethyl)benzene
MFCD00046820

Chemical & Physical Properties

[ Density]:
1.18g/cm3

[ Boiling Point ]:
140 °C

[ Molecular Formula ]:
C8H6ClNS

[ Molecular Weight ]:
183.65800

[ Flash Point ]:
122.4ºC

[ Exact Mass ]:
182.99100

[ PSA ]:
44.45000

[ LogP ]:
2.94280

[ Index of Refraction ]:
1.581

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8457000
CHEMICAL NAME :
Isothiocyanic acid, m-chlorobenzyl ester
CAS REGISTRY NUMBER :
3694-58-4
BEILSTEIN REFERENCE NO. :
2085926
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-Cl-N-S
MOLECULAR WEIGHT :
183.66
WISWESSER LINE NOTATION :
SCN1R CG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07917

Safety Information

[ Hazard Codes ]:
T

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
2810

[ HS Code ]:
2930909090

Precursor & DownStream

Precursor

  • Thiophosgene
  • (3-Chlorophenyl)methanamine

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • 3-chlorobenzyl 4-bromobenzenesulfonate
  • (3-CHLOROBENZYL)PHOSPHONICACIDDIETHYLESTER
  • 3-Chlorobenzyl alcohol
  • (3-Chlorobenzyl)(methyl)sulfane
  • (3-Chlorobenzyl)hydrazine
  • (3-Chlorobenzyl)hydrazine dihydrochloride
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-(1-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclohexyl}-N-(prop-2-en-1-yl)formamido)acetic acid
  • 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
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide