4-chlorophenyl isothiocyanate

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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

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

  • Thiophosgene
  • 4-Chloroaniline
  • Carbon disulphide
  • Lauroyl azide
  • ((4-chlorophenyl)amino)phenoxymethane-1-thione
  • 1-chloro-4-isocyanobenzene
  • Formamide,N-(4-chlorophenyl)-
  • Acetamide, N-(4-chlorophenyl)-2,2,2-trifluoro-
  • 4-CHLORO-N-HYDROXYBENZIMIDOYL CHLORIDE

DownStream

  • 3-[(2-chloroindolo[2,3-b]quinoxalin-6-yl)methyl]-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
  • 3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
  • 2-Chloro-4-methyl-benzothiozole
  • 5-amino-6-(4-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-one
  • 5-amino-6-(4-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidine-4-thione
  • brn 4880077
  • Naphthol AS-E
  • 4-CHLOROPHENYLTHIOUREA
  • Proguanil
  • N-(4-chlorophenyl)-4-nitroaniline

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)


More Articles

Related Compounds

  • 2-fluoro-4-chlorophenyl isothiocyanate
  • 2-methyl-4-chlorophenyl isothiocyanate
  • 2-bromomethyl-4-chlorophenyl isothiocyanate
  • 3-trifluoromethyl-4-chlorophenyl isothiocyanate
  • 4-Bromo-3-chlorophenyl isothiocyanate
  • 4-Bromo-2-Chloro-1-Isothiocyanatobenzene
  • Tert-butyl 2-[2-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carboxylate
  • tert-butyl N-(3-{[1-(methylamino)cyclopropyl]methyl}phenyl)carbamate
  • 3-(3-{[(Tert-butoxy)carbonyl]amino}-4-hydroxy-5-methoxyphenyl)-3-methylbutanoic acid
  • tert-butyl N-{1-[1-(aminomethyl)cyclohexyl]-2,2-dimethylpropyl}carbamate
  • 3-(5-Bromopyrimidin-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
  • (3R)-3-(3-bromo-2,4-difluorophenyl)-3-hydroxypropanoic acid
  • 2-Tert-butyl-1,3-benzothiazole-4-thiol
  • 1,1-Difluoro-2,4,4-trimethylhexan-2-amine
  • 3-[4-(difluoromethyl)phenyl]-1-[5-(2-fluorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea
  • 1-[5-(2-fluorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-[(3-methyloxetan-3-yl)methyl]urea
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