3-chlorophenyl isothiocyanate

Names

[ Name ]:
3-chlorophenyl isothiocyanate

[Synonym ]:
Isothiocyanic acid,3-chlorophenyl ester
MFCD00004805
3-Chlorophenylisothiocyanate
Isothiocyanic acid,m-chlorophenyl ester
m-chlorophenyl isothiocyanate
1-chloro-3-isothiocyanato-benzene
Benzene,1-chloro-3-isothiocyanato

Chemical & Physical Properties

[ Density]:
1.292

[ Boiling Point ]:
249-250 °C

[ Molecular Formula ]:
C₇H₄ClNS

[ Molecular Weight ]:
169.63100

[ Flash Point ]:
>110°C

[ Exact Mass ]:
168.97500

[ PSA ]:
44.45000

[ LogP ]:
3.07430

[ Vapour Pressure ]:
0.0361mmHg at 25°C

[ Index of Refraction ]:
1.658-1.66

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8474500

CHEMICAL NAME :: Isothiocyanic acid, 3-chlorophenyl ester

CAS REGISTRY NUMBER :: 2392-68-9

BEILSTEIN REFERENCE NO. :: 0636856

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H4-Cl-N-S

MOLECULAR WEIGHT :: 169.63

WISWESSER LINE NOTATION :: SCNR CG

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

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R23/24/25;R36/37/38

[ Safety Phrases ]:
S45-S36/37/39-S26-S37/39

[ RIDADR ]:
2810

[ RTECS ]:
NX8474500

[ 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%

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