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
signalword
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
存储类别
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
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter