2-chlorobenzyl isothiocyanate

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Names

[ CAS No. ]:
18967-44-7

[ Name ]:
2-chlorobenzyl isothiocyanate

[Synonym ]:
2-Chlor-benzylisothiocyanat
MFCD00041110
o-chlorobenzyl isothiocyanate
1-chloro-2-isothiocyanatomethyl-benzene
2-Chlorobenzyl isothiocyanate
ISOTHIOCYANIC ACID,o-CHLOROBENZYL ESTER

Chemical & Physical Properties

[ Density]:
1,26 g/cm3

[ Boiling Point ]:
138 °C

[ Molecular Formula ]:
C8H6ClNS

[ Molecular Weight ]:
183.65800

[ Flash Point ]:
137-138°C/6mm

[ Exact Mass ]:
182.99100

[ PSA ]:
44.45000

[ LogP ]:
2.94280

[ Vapour Pressure ]:
0.0071mmHg at 25°C

[ Index of Refraction ]:
1.6140

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8460000
CHEMICAL NAME :
Isothiocyanic acid, o-chlorobenzyl ester
CAS REGISTRY NUMBER :
18967-44-7
BEILSTEIN REFERENCE NO. :
2936688
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-Cl-N-S
MOLECULAR WEIGHT :
183.66
WISWESSER LINE NOTATION :
SCN1R BG

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 :
56 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#02756

Safety Information

[ Hazard Codes ]:
T: Toxic;

[ Risk Phrases ]:
R20/21/22;R36/37/38

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

[ RIDADR ]:
2810

[ RTECS ]:
NX8460000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Precursor & DownStream

Precursor

  • 2-Chlorobenzylamine

DownStream

  • 1,3-Bis(o-chlorobenzyl)thiourea

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

  • 2-chlorobenzyl benzoate
  • ({[(2-Chlorobenzyl)(cyclohexyl)amino]-carbonothioyl}amino)acetic acid
  • 2-chlorobenzyl methyl sulphide
  • 2-chlorobenzyl 2-((3R,4S)-4-(4-amino-5-chloro-2-methoxybenzamido)-3-methoxypiperidin-1-yl)acetate
  • ({[(2-Chlorobenzyl)(2-furylmethyl)amino]-carbonothioyl}amino)acetic acid
  • (2-CHLOROBENZYL)PYRIDIN-2-YLMETHYLAMINE
  • N-(1-benzylpiperidin-4-yl)-2-(2,4-dioxo-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
  • 3-Hydroxy-2,9,10-trimethoxy-13-methyl-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium formate
  • Methyl 5-[(4-tert-butylbenzenesulfonyl)methyl]furan-2-carboxylate
  • 2-(4,5-Dimethoxy-2-(indolin-1-ylsulfonyl)phenyl)acetic acid
  • Methyl 2-(2-(indolin-1-ylsulfonyl)-4,5-dimethoxyphenyl)acetate, 95%
  • Potassium (2-(1-methoxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino sulfate
  • 6-(4-Ethylpiperazin-1-yl)-2-(pyridin-3-yl)-4H-chromen-4-one
  • 3-Chloro-4-[(hydroxyimino)methyl]-5-methylbenzonitrile
  • N2-methyl-N2-(pyrrolidin-2-ylmethyl)quinoxaline-2,3-diamine hydrochloride
  • 3-(Benzylamino)-4-(((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione
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