CAS 3694-45-9|Benzene,1-chloro-4-(isothiocyanatomethyl)-

Introduction:Basic information about CAS 3694-45-9|Benzene,1-chloro-4-(isothiocyanatomethyl)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameBenzene,1-chloro-4-(isothiocyanatomethyl)-
CAS Number3694-45-9Molecular Weight183.65800
Density1,27 g/cm3Boiling Point170 °C
Molecular FormulaC8H6ClNSMelting Point/
MSDS/Flash Point169-170°C/25mm

Names

Name4-chlorobenzyl isothiocyanate
SynonymMore Synonyms

Chemical & Physical Properties

Density1,27 g/cm3
Boiling Point170 °C
Molecular FormulaC8H6ClNS
Molecular Weight183.65800
Flash Point169-170°C/25mm
Exact Mass182.99100
PSA44.45000
LogP2.94280
Index of Refraction1.6155
InChIKeyDEHXIHUIYSXZNH-UHFFFAOYSA-N
SMILESS=C=NCc1ccc(Cl)cc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8470000
CHEMICAL NAME :
Isothiocyanic acid, p-chlorobenzyl ester
CAS REGISTRY NUMBER :
3694-45-9
BEILSTEIN REFERENCE NO. :
2085917
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H6-Cl-N-S
MOLECULAR WEIGHT :
183.66
WISWESSER LINE NOTATION :
SCN1R DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,121,1971
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#02757

Safety Information

Hazard CodesT: Toxic;
Risk PhrasesR20/21/22;R36/37/38
Safety PhrasesS26-S36/37/39
RIDADR2810
RTECSNX8470000
Packaging GroupII
Hazard Class6.1
HS Code2930909090

Customs

HS Code2930909090
Summary2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

4-Chlorobenzyl isothiocyanate
1-chloro-4-(isothiocyanatomethyl)benzene
MFCD00041116
CAS 1736-72-7|4-(Trifluoromethyl)phenylthiourea
CAS 1072-32-8|1-Dodecyl isothiocyanate
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