2-chlorobenzyl isothiocyanate

Modify Date: 2025-08-25 17:46:26

2-chlorobenzyl isothiocyanate Structure
2-chlorobenzyl isothiocyanate structure
Common Name 2-chlorobenzyl isothiocyanate
CAS Number 18967-44-7 Molecular Weight 183.65800
Density 1,26 g/cm3 Boiling Point 138 °C
Molecular Formula C8H6ClNS Melting Point N/A
MSDS N/A Flash Point 137-138°C/6mm

 Names

Name 1-chloro-2-(isothiocyanatomethyl)benzene
Synonym More Synonyms

 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

~%

2-chlorobenzyl isothiocyanate Structure

2-chlorobenzyl ...

CAS#:18967-44-7

Literature: Journal of the American Chemical Society, , vol. 81, p. 4328,4330,4333 Journal of the Indian Chemical Society, , vol. 33, p. 423

 Precursor & DownStream

Precursor  1

DownStream  1

 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%

 Synonyms

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