2,4-Dibromobenzenesulfonyl chloride - CAS 72256-95-2

Catalog:	BB034588
Product Name:	2,4-Dibromobenzenesulfonyl chloride
CAS:	72256-95-2
Synonyms:	2,4-dibromobenzenesulfonyl chloride

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Computed Properties

IUPAC Name:	2,4-dibromobenzenesulfonyl chloride
Description:	2,4-Dibromobenzenesulfonyl chloride (CAS# 72256-95-2) is a useful research chemical.
Molecular Weight:	334.41
Molecular Formula:	C6H3Br2ClO2S
Canonical SMILES:	C1=CC(=C(C=C1Br)Br)S(=O)(=O)Cl
InChI:	InChI=1S/C6H3Br2ClO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
InChI Key:	OMOXIKAWVFDFNX-UHFFFAOYSA-N
Boiling Point:	128 °C / 0.2 mmHg
Melting Point:	82-86 °C (lit.)
Purity:	95 %
Density:	2.11 g/cm³
Appearance:	White to yellow solid
MDL:	MFCD03093759
LogP:	4.21990

Publication Number	Title	Priority Date
US-10597378-B2	Tetrahydroisoquinolines for use as MOR/NOP dual agonists	20170908
US-2019077786-A1	Heterocyclic compounds and use thereof	20170908
CN-104678028-A	Pretreatment and detection method for biogen amine neurotransmitter and detection kit	20150212
AU-2014369153-A1	Nrf2 regulators	20131218
AU-2014369153-B2	Nrf2 regulators	20131218

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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:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	333.78885
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	331.79090
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3