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Sigma-Aldrich

3-Bromophenyl isothiocyanate

97%

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About This Item

Linear Formula:
BrC6H4NCS
CAS Number:
2131-59-1
Molecular Weight:
214.08
MDL number:
MFCD00004803
UNSPSC Code:
12352100
PubChem Substance ID:
24855298
NACRES:
NA.22

assay

97%

form

solid

bp

256 °C (lit.)

SMILES string

Brc1cccc(c1)N=C=S

InChI

1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

InChI key

ZMGMGHNOACSMQN-UHFFFAOYSA-N

Application

3-Bromophenyl isothiocyanate has been used in the synthesis of:
  • (S)-N-[3-{N-(3-bromophenyl)-4-(3-fluorophenyl)piperazine]-1-carbothioamido}-2-oxooxazolidin-5-yl)methyl]acetamide
  • (S)-N-[3-{N-(3-bromophenyl)-4-(3-fluorophenyl)piperazine]-1-carboxyamido}-2-oxooxazolidin-5-yl)methyl]acetamide
  • (S)-N-[3-{N-(2-bromophenyl)-4-(3-fluorophenyl)piperazine]-1-carboxyamido}-2-oxooxazolidin-5-yl)methyl]acetamide

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Certificates of Analysis (COA)

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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
Fazila Rizvi et al.
Scientific reports, 9(1), 6738-6738 (2019-05-03)
A library of thiosemicarbazide derivatives of isoniazid 3-27, was synthesized and evaluated for their anti-inflammatory and urease inhibition activities, by using in vitro bioassays. Among these compounds 9, 10, 12, 21, and 26 were identified as new derivatives. Prolonged use

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