3694-45-9

3694-45-9 structure
3694-45-9 structure
  • Name: Benzene,1-chloro-4-(isothiocyanatomethyl)-
  • Chemical Name: 4-chlorobenzyl isothiocyanate
  • CAS Number: 3694-45-9
  • Molecular Formula: C8H6ClNS
  • Molecular Weight: 183.65800
  • Create Date: 2018-03-14 08:00:00
  • Modify Date: 2024-01-03 10:12:53

Name 4-chlorobenzyl isothiocyanate
Synonyms 4-Chlorobenzyl isothiocyanate
1-chloro-4-(isothiocyanatomethyl)benzene
MFCD00041116
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

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
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
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%