2-Bromophenyl methyl sulfone - CAS 33951-33-6

Catalog:	BB021905
Product Name:	2-Bromophenyl methyl sulfone
CAS:	33951-33-6
Synonyms:	1-bromo-2-methylsulfonylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-2-methylsulfonylbenzene
Description:	2-Bromophenyl methyl sulfone (CAS# 33951-33-6) is a useful research chemical.
Molecular Weight:	235.10
Molecular Formula:	C7H7BrO2S
Canonical SMILES:	CS(=O)(=O)C1=CC=CC=C1Br
InChI:	InChI=1S/C7H7BrO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
InChI Key:	KEBPSJRKAZKUKP-UHFFFAOYSA-N
Boiling Point:	361.6 °C at 760 mmHg
Melting Point:	106-110 °C
Purity:	95 %
Density:	1.595 g/cm³
MDL:	MFCD07368924
LogP:	2.93340

Publication Number	Title	Priority Date
CN-112778276-A	Compound as SHP2 inhibitor and application thereof	20191108
WO-2021088945-A1	Compound as shp2 inhibitor and use thereof	20191108
WO-2021012049-A1	Substituted 2-morpholinopyridine derivatives as atr kinase inhibitors	20190722
CN-109678811-A	A kind of asymmetric preparation method of florfenicol intermediate cyclic product	20190125
US-2020235420-A1	Lithium fluoride-based and related cathode compositions and batteries comprising the same	20190118

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Related Functional Groups

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[104496-91-5]
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[162894-76-0]
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[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

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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:	1.9