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Merck
CN

68357

4-(Bromomethyl)phenyl isothiocyanate

≥98.0%

Synonym(s):

4-Isothiocyanatobenzyl bromide

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About This Item

Empirical Formula (Hill Notation):
C8H6BrNS
CAS Number:
155863-32-4
Molecular Weight:
228.11
UNSPSC Code:
12352100
PubChem Substance ID:
57652152
MDL number:
MFCD08702661

Key Documents

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InChI

1S/C8H6BrNS/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H,5H2

SMILES string

BrCc1ccc(cc1)N=C=S

InChI key

NSQGUALFBVTBHL-UHFFFAOYSA-N

assay

≥98.0%

reaction suitability

reagent type: cross-linking reagent

Application

Hetero-bifunctional linker specially for the quaternisation of pyridyl-nitrogen in order to introduce an amine or thiol reactive group. Synthetic building block for the preparation of fluorescent labels

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBJ9956V

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Litak, P.T.;Kauffman, J.M.
Journal of Heterocyclic Chemistry, 31, 457-457 (1994)

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