4-chlorophenyl isothiocyanate
Names
[ CAS No. ]:
2131-55-7
[ 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
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
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
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)