3-Bromophenyl isothiocyanate

ALDRICH/253162 - 97%

CAS Number: 2131-59-1
Empirical Formula (Hill Notation): C₇H₄BrNS
Molecular Weight: 214.08
MDL Number: MFCD00004803
Linear Formula: BrC₆H₄NCS
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-253162-5G	5 g	$65.70 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	256 °C (lit.)
form	solid
InChI	1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChI key	ZMGMGHNOACSMQN-UHFFFAOYSA-N
Quality Level	100
SMILES string	Brc1cccc(c1)N=C=S

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

Packaging:

5 g in glass bottle

Symbol	GHS07,GHS08
Signal word	Danger
Hazard statements	H302 + H312 + H332 - H315 - H319 - H334 - H335
Precautionary statements	P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38-42
Safety Statements	22-26-36/37-45
RIDADR	UN 3335
WGK Germany	WGK 3
Flash Point(F)	235.4 °F - closed cup
Flash Point(C)	113 °C - closed cup

Purity	97%
bp	256 °C (lit.)
UNSPSC	12352100

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