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Merck
CN

260851

2-Bromothioanisole

97%

Synonym(s):

2-Bromophenyl methyl sulfide

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About This Item

Linear Formula:
BrC6H4SCH3
CAS Number:
Molecular Weight:
203.10
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
243-183-4
MDL number:
Assay:
97%
Form:
liquid
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InChI key

ALAQDUSTXPEHMH-UHFFFAOYSA-N

InChI

1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

SMILES string

CSc1ccccc1Br

assay

97%

form

liquid

refractive index

n20/D 1.633 (lit.)

bp

145-146 °C/27 mmHg (lit.)

mp

−24 °C (lit.)

density

1.522 g/mL at 25 °C (lit.)

functional group

bromo, thioether

Quality Level

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Application

2-Bromothioanisole has been used in the preparation of:
  • thioether-methyleneborane (PhSCH2B (C6F5)2)2
  • 1-dimesitylboryl-2-methylthio-benzene

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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The thioether-methyleneborane (PhSCH2B (C6F5) 2) 2: synthesis and reactivity with donors and alkynes.
Tanur CA and Stephan DW.
Organometallics, 30(13), 3652-3657 (2011)
Youngmin Kim et al.
Angewandte Chemie (International ed. in English), 48(27), 4957-4960 (2009-06-06)
Going fishing! The sulfonium borane [1](+) complexes cyanide in pure water at the maximum allowable concentration of 50 ppb recommended by the European Union. The high cyanide ion affinity displayed by this compound arises from favorable Coulombic effects augmented by
Isolation of S-(bromophenyl)cysteine isomers from liver proteins of bromobenzene-treated rats.
P E Weller et al.
Chemical research in toxicology, 4(1), 17-20 (1991-01-01)

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