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260851

Sigma-Aldrich

2-Bromothioanisole

97%

Synonym(s):

2-Bromophenyl methyl sulfide

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About This Item

Linear Formula:
BrC6H4SCH3
CAS Number:
19614-16-5
Molecular Weight:
203.10
EC Number:
243-183-4
MDL number:
MFCD00000066
UNSPSC Code:
12352100
PubChem Substance ID:
24855774
NACRES:
NA.22

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.)

SMILES string

CSc1ccccc1Br

InChI

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

InChI key

ALAQDUSTXPEHMH-UHFFFAOYSA-N

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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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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