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253766

Sigma-Aldrich

3-Chlorophenyl isothiocyanate

98%

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About This Item

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

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.)

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 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

Certificates of Analysis (COA)

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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)
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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