Benzene,1-chloro-4-(isothiocyanatomethyl)-
Names
[ CAS No. ]:
3694-45-9
[ Name ]:
Benzene,1-chloro-4-(isothiocyanatomethyl)-
[Synonym ]:
4-Chlorobenzyl isothiocyanate
1-chloro-4-(isothiocyanatomethyl)benzene
MFCD00041116
Chemical & Physical Properties
[ Density]:
1,27 g/cm3
[ Boiling Point ]:
170 °C
[ Molecular Formula ]:
C8H6ClNS
[ Molecular Weight ]:
183.65800
[ Flash Point ]:
169-170°C/25mm
[ Exact Mass ]:
182.99100
[ PSA ]:
44.45000
[ LogP ]:
2.94280
[ Index of Refraction ]:
1.6155
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 Codes ]:
T: Toxic;
[ Risk Phrases ]:
R20/21/22;R36/37/38
[ Safety Phrases ]:
S26-S36/37/39
[ RIDADR ]:
2810
[ RTECS ]:
NX8470000
[ Packaging Group ]:
II
[ Hazard Class ]:
6.1
[ 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%