2-(Methylsulfonyl)benzyl Bromide - CAS 82657-74-7

Catalog:	BB036871
Product Name:	2-(Methylsulfonyl)benzyl Bromide
CAS:	82657-74-7
Synonyms:	1-(bromomethyl)-2-methylsulfonylbenzene; 1-(bromomethyl)-2-methylsulfonylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(bromomethyl)-2-methylsulfonylbenzene
Description:	2-(Methylsulfonyl)benzyl Bromide (CAS# 82657-74-7) is a useful research chemical.
Molecular Weight:	249.12
Molecular Formula:	C8H9BrO2S
Canonical SMILES:	CS(=O)(=O)C1=CC=CC=C1CBr
InChI:	InChI=1S/C8H9BrO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3
InChI Key:	ZBLBWTFICJOODX-UHFFFAOYSA-N
Density:	1.55 g/cm³
LogP:	3.06580

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.95066
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.95066
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7