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253766

3-Chlorophenyl isothiocyanate

98%

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About This Item

Linear Formula:
ClC6H4NCS
CAS Number:
2392-68-9
Molecular Weight:
169.63
NACRES:
NA.22
PubChem Substance ID:
24855326
UNSPSC Code:
12352100
MDL number:
MFCD00004805
Assay:
98%
Form:
liquid
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assay

98%

form

liquid

refractive index

n20/D 1.6585 (lit.)

bp

249-250 °C (lit.)

density

1.292 g/mL at 25 °C (lit.)

functional group

chloro, isothiocyanate

SMILES string

Clc1cccc(c1)N=C=S

InChI

1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

InChI key

WGXCKFMVBAOIFH-UHFFFAOYSA-N

Application

3-Chlorophenyl isothiocyanate has been used in the synthesis of:
  • 2-[(3-chlorophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-i]pyrimidin-5-one
  • (S)-N-[3-{N-(3-chlorophenyl)-4-(3-fluorophenyl)piperazine]-1-carbothioamido}-2-oxooxazolidin-5-yl)methyl]acetamide

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point (°F)

235.4 °F - closed cup

Flash Point (°C)

113 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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