4-(Methylsulfonyl)benzyl Bromide - CAS 53606-06-7

Catalog:	BB028288
Product Name:	4-(Methylsulfonyl)benzyl Bromide
CAS:	53606-06-7
Synonyms:	1-(bromomethyl)-4-methylsulfonylbenzene; 1-(bromomethyl)-4-methylsulfonylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(bromomethyl)-4-methylsulfonylbenzene
Description:	4-(Methylsulfonyl)benzyl Bromide (CAS# 53606-06-7) is a useful research chemical.
Molecular Weight:	249.12
Molecular Formula:	C8H9BrO2S
Canonical SMILES:	CS(=O)(=O)C1=CC=C(C=C1)CBr
InChI:	InChI=1S/C8H9BrO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChI Key:	HGKPAXHJTMHWAH-UHFFFAOYSA-N
Boiling Point:	365 °C at 760 mmHg
Density:	1.287 g/cm³
MDL:	MFCD00185849
LogP:	3.06580

Publication Number	Title	Priority Date
CN-113372335-A	Phenylalanine derivative containing 1,2, 4-triazole thioether and preparation method and application thereof	20210705
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CN-111205287-B	Pyrido [2,3-d ] pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof	20200221

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Related Functional Groups

Sulfur Compounds

[123-43-3]
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[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
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[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1879-16-9]
4-Methoxythioanisole

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GHS Hazard Statement:	H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501
Signal Word:	Danger

Complexity:	222
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