4-chlorophenyl isothiocyanate

Names

[ Name ]:
4-chlorophenyl isothiocyanate

[Synonym ]:
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

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)

MSDS

Click to get detail MSDS

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

[ 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

Click to get detail synthetic route

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%

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)