5-chloro-2-methylphenyl isothiocyanate

Modify Date: 2024-01-10 16:27:31

5-chloro-2-methylphenyl isothiocyanate Structure
5-chloro-2-methylphenyl isothiocyanate structure
Common Name 5-chloro-2-methylphenyl isothiocyanate
CAS Number 19241-36-2 Molecular Weight 183.65800
Density 1.248 g/mL at 25 °C(lit.) Boiling Point 268-272 °C(lit.)
Molecular Formula C8H6ClNS Melting Point N/A
MSDS N/A Flash Point >230 °F

 Names

Name 4-chloro-2-isothiocyanato-1-methylbenzene
Synonym More Synonyms

 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

~%

5-chloro-2-methylphenyl isothiocyanate Structure

5-chloro-2-meth...

CAS#:19241-36-2

Literature: Journal of the Chemical Society, , p. 3285,3299

 Synonyms

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