4-Formylbenzenesulfonyl Chloride - CAS 85822-16-8

Catalog:	BB037735
Product Name:	4-Formylbenzenesulfonyl Chloride
CAS:	85822-16-8
Synonyms:	4-formylbenzenesulfonyl chloride; 4-formylbenzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	4-formylbenzenesulfonyl chloride
Description:	4-Formylbenzenesulfonyl Chloride (CAS# 85822-16-8) is a useful research chemical.
Molecular Weight:	204.63
Molecular Formula:	C7H5ClO3S
Canonical SMILES:	C1=CC(=CC=C1C=O)S(=O)(=O)Cl
InChI:	InChI=1S/C7H5ClO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-5H
InChI Key:	MSWSPWGBDIQKKR-UHFFFAOYSA-N
Boiling Point:	327 °C at 760 mmHg
Density:	1.485 g/cm³
Appearance:	White to yellow solid
LogP:	2.50740

Publication Number	Title	Priority Date
WO-2021207291-A1	Compounds and uses thereof	20200406
WO-2021203016-A2	Protein-protein interaction stabilizers	20200403
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
WO-2020178316-A1	5- or 7-azaindazoles as beta-lactamase inhibitors	20190305
WO-2020116662-A1	Cycloalkane-1,3-diamine derivative	20181206

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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:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.9647929
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.9647929
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4