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About This Item
Linear Formula:
ClC6H4NCS
CAS Number:
Molecular Weight:
169.63
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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
Signal Word
Warning
Hazard Statements
Precautionary Statements
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 Code
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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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)
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
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