3-Chlorobenzyl isothiocyanate

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

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%