5-chloro-2-methylphenyl isothiocyanate

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Names

[ CAS No. ]:
19241-36-2

[ Name ]:
5-chloro-2-methylphenyl isothiocyanate

[Synonym ]:
5-Chlor-2-methyl-phenylisothiocyanat
MFCD00046801
5-Chloro-o-tolyl isothiocyanate
ISOTHIOCYANIC ACID,5-CHLORO-o-TOLYL ESTER
4-Chloro-2-Isothiocyanato-1-Methyl-Benzene
5-Chlor-2-methyl-phenylsenfoel
5-Chloro-2-methylphenyl isothiocyanate

Chemical & Physical Properties

[ Density]:
1.248 g/mL at 25 °C(lit.)

[ Boiling Point ]:
268-272 °C(lit.)

[ Molecular Formula ]:
C8H6ClNS

[ Molecular Weight ]:
183.65800

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
182.99100

[ PSA ]:
44.45000

[ LogP ]:
3.38270

[ Vapour Pressure ]:
0.0031mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.646(lit.)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8476000
CHEMICAL NAME :
Isothiocyanic acid, 5-chloro-o-tolyl ester
CAS REGISTRY NUMBER :
19241-36-2
BEILSTEIN REFERENCE NO. :
2717659
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-Cl-N-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 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#07101

Safety Information

[ Hazard Codes ]:
C: Corrosive;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S27-S36/37/39-S45

[ RIDADR ]:
2810

[ WGK Germany ]:
3

[ RTECS ]:
NX8476000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

Synthetic Route

Precursor & DownStream

Precursor

  • Thiophosgene
  • 5-Chloro-2-methylaniline

DownStream

  • 1-(5-chloro-2-methylphenyl)-3-ethylthiourea
  • 1-(5-CHLORO-2-METHYLPHENYL)-2-THIOUREA

Related Compounds

  • (5-Chloro-2-methylphenyl)hydrazine
  • (5-chloro-2-methylphenyl)-phenylmethanone
  • (5-Chloro-2-methylphenyl)boronic acid
  • 5-CHLORO-2-METHYLPHENYL ISOCYANATE
  • (5-chloro-2-Methylphenyl)Methanol
  • 4-chloro-2-methylphenyl isothiocyanate