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253162

3-Bromophenyl isothiocyanate

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About This Item

Linear Formula:
BrC6H4NCS
CAS Number:
2131-59-1
Molecular Weight:
214.08
NACRES:
NA.22
PubChem Substance ID:
24855298
UNSPSC Code:
12352100
MDL number:
MFCD00004803
Assay:
97%
Form:
solid
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Quality Segment

assay

97%

form

solid

bp

256 °C (lit.)

functional group

bromo, isothiocyanate

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

Signal Word

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

WGK 3

Flash Point (°F)

235.4 °F - closed cup

Flash Point (°C)

113 °C - closed cup

PPE (personal protective equipment)

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

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