253766
3-Chlorophenyl isothiocyanate
98%
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About This Item
Linear Formula:
ClC6H4NCS
CAS Number:
Molecular Weight:
169.63
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
Form:
liquid
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
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
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Synthesis and evaluation of urea and thiourea derivatives of oxazolidinones as antibacterial agents.
Sunil Kumar Reddy Aaramadaka et al.
Chemical & pharmaceutical bulletin, 55(2), 236-240 (2007-02-03)
Urea and thiourea derivatives of oxazolidinones were synthesized and their inhibitory activity (MIC) was determined on the bacterial strains which includes clinical isolates and quality control organisms. The structure activity relationships were studied and a 3D-QSAR model was built using
Synthesis and antimicrobial activity of novel naphtho [2, 1-b] furo-5H-[3, 2-d][1, 3, 4] thiadiazolo [3, 2-a] pyrimidin-5-ones.
Ravindra KC, et al.
ARKIVOC (Gainesville, FL, United States), 11(1) (2008)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 253766-5G | 04061825982328 |