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4-Bromo-3-methylbenzenesulfonyl chloride

4-Bromo-3-methylbenzenesulfonyl chloride - CAS 72256-93-0

Catalog:	BB034587
Product Name:	4-Bromo-3-methylbenzenesulfonyl chloride
CAS:	72256-93-0
Synonyms:	4-bromo-3-methylbenzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-3-methylbenzenesulfonyl chloride
Description:	4-Bromo-3-methylbenzenesulfonyl chloride (CAS# 72256-93-0) is a useful research chemical.
Molecular Weight:	269.54
Molecular Formula:	C7H6BrClO2S
Canonical SMILES:	CC1=C(C=CC(=C1)S(=O)(=O)Cl)Br
InChI:	InChI=1S/C7H6BrClO2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,1H3
InChI Key:	JRNDXUKMWFVEIC-UHFFFAOYSA-N
Boiling Point:	311.2 °C at 760 mmHg
Density:	1.7 g/cm³
Appearance:	Solid
MDL:	MFCD03094696
LogP:	3.76580

Publication Number	Title	Priority Date
CN-109608369-B	Sulfonyl ester group anthraquinone derivative and preparation method and application thereof	20181224
WO-2019149738-A1	Protein kinase mkk4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20180131
AU-2019216264-A1	Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20180131
CN-111788195-A	Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20180131
EP-3746437-A1	Protein kinase mkk4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20180131

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.89604
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	267.89604
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3