3-Bromophenyl Methyl Sulphone - CAS 34896-80-5

Catalog:	BB022347
Product Name:	3-Bromophenyl Methyl Sulphone
CAS:	34896-80-5
Synonyms:	1-bromo-3-methylsulfonylbenzene; 1-bromo-3-methylsulfonylbenzene

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Computed Properties

IUPAC Name:	1-bromo-3-methylsulfonylbenzene
Description:	3-Bromophenyl Methyl Sulphone (CAS# 34896-80-5) is a compound useful in organic synthesis.
Molecular Weight:	235.10
Molecular Formula:	C7H7BrO2S
Canonical SMILES:	CS(=O)(=O)C1=CC(=CC=C1)Br
InChI:	InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:	WBOMXUMQOVQNKT-UHFFFAOYSA-N
Boiling Point:	362.8 °C at 760 mmHg
Density:	1.595 g/cm³
LogP:	2.93340

Publication Number	Title	Priority Date
CN-113072471-A	Lifeiste intermediate and preparation method thereof	20210302
CN-112939750-A	Method for transferring asymmetric functionalization by nickel-hydrogen catalysis olefin promoted by ligand relay strategy	20210204
CN-111518002-A	Thioether compound, preparation method thereof, medical intermediate and application thereof	20200521
WO-2021133509-A1	Heterocyclic compounds as mtor inhibitors	20191227
CN-112778276-A	Compound as SHP2 inhibitor and application thereof	20191108

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Related Functional Groups

Sulfur Compounds

[1866059-82-6]
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[1778-09-2]
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[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[156-57-0]
Cysteamine hydrochloride
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.93501
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.93501
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1