4-chlorophenyl isothiocyanate

Modify Date: 2024-01-02 06:58:20

4-chlorophenyl isothiocyanate Structure
4-chlorophenyl isothiocyanate structure
Common Name 4-chlorophenyl isothiocyanate
CAS Number 2131-55-7 Molecular Weight 169.631
Density 1.2±0.1 g/cm3 Boiling Point 250.2±13.0 °C at 760 mmHg
Molecular Formula C7H4ClNS Melting Point 42-44 °C(lit.)
MSDS Chinese USA Flash Point 105.1±19.8 °C
Symbol GHS06 GHS08
GHS06, GHS08
Signal Word Danger

 Names

Name 1-chloro-4-isothiocyanatobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 250.2±13.0 °C at 760 mmHg
Melting Point 42-44 °C(lit.)
Molecular Formula C7H4ClNS
Molecular Weight 169.631
Flash Point 105.1±19.8 °C
Exact Mass 168.975296
PSA 44.45000
LogP 3.91
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.594
Storage condition Refrigerator (+4°C)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8473000
CHEMICAL NAME :
Isothiocyanic acid, p-chlorophenyl ester
CAS REGISTRY NUMBER :
2131-55-7
BEILSTEIN REFERENCE NO. :
0471610
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H4-Cl-N-S
MOLECULAR WEIGHT :
169.63
WISWESSER LINE NOTATION :
SCNR 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

 Safety Information

Symbol GHS06 GHS08
GHS06, GHS08
Signal Word Danger
Hazard Statements H301 + H311 + H331-H315-H317-H319-H334-H335
Precautionary Statements P261-P280-P301 + P310-P305 + P351 + P338-P311
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes Xn:Harmful;
Risk Phrases R23/24/25;R36/37/38
Safety Phrases S22-S26-S36/37/39-S45
RIDADR UN 2206 6.1/PG 2
WGK Germany 3
RTECS NX8473000
Packaging Group III
Hazard Class 8
HS Code 2930909090

 Synthetic Route

 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%

 Articles3

More Articles
Efficacy of p-chlorophenylisothiocyanate (Sch 20350) against parasites of ruminants and horses.

J. Parasitol. 67(6) , 964, (1981)

A solid phase traceless synthesis of 2-arylaminobenzimidazoles. Krchnák V, et al.

Tetrahedron Lett. 42(9) , 1627-30, (2001)

Synthesis and anti-HIV activity of new chiral 1, 2, 4-triazoles and 1, 3, 4-thiadiazoles. Akhtar T, et al.

Heteroatom Chem. 18(3) , 316-22, (2007)

 Synonyms

Benzene,1-chloro-4-isothiocyanato
1-chloro-4-isothiocyanato-benzene
1-Chloro-4-isothiocyanatobenzene
Isothiocyanic Acid 4-Chlorophenyl Ester
p-Chlorophenyl Isothiocyanate
4-Chlor-phenyl-isothiocyanat
Isothiocyanic acid,p-chlorophenyl ester
p-Cl-Ph-NCS
MFCD00004810
Benzene, 1-chloro-4-isothiocyanato-
EINECS 218-358-3
4-chlorophenyl isothiocyanate