4-(Difluoromethoxy)benzenesulfonyl chloride - CAS 351003-34-4

Catalog:	BB022444
Product Name:	4-(Difluoromethoxy)benzenesulfonyl chloride
CAS:	351003-34-4
Synonyms:	4-(difluoromethoxy)benzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(difluoromethoxy)benzenesulfonyl chloride
Description:	4-(Difluoromethoxy)benzenesulfonyl chloride (CAS# 351003-34-4) is a useful research chemical.
Molecular Weight:	242.63
Molecular Formula:	C7H5ClF2O3S
Canonical SMILES:	C1=CC(=CC=C1OC(F)F)S(=O)(=O)Cl
InChI:	InChI=1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-5(2-4-6)13-7(9)10/h1-4,7H
InChI Key:	ANZLDHZFNLCQAS-UHFFFAOYSA-N
Boiling Point:	310 °C at 760 mmHg
Purity:	95 %
Density:	1.523 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD03094156
LogP:	3.29630

Publication Number	Title	Priority Date
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
WO-2021158516-A1	IRE1Î± MODULATORS AND USES THEREOF	20200203
WO-2020216920-A1	N-((heteroaryl)methyl)-1-tosyl-1h-pyrazole-3-carboxamide derivatives as kv3 potassium channel activators for treating neurological and psychiatric disorders	20190426
WO-2020117972-A1	Therapeutics targeting mutant adenomatous polyposis coli (apc) for the treatment of cancer	20181204
EP-3890715-A1	Therapeutics targeting mutant adenomatous polyposis coli (apc) for the treatment of cancer	20181204

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Related Functional Groups

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Sulfur Compounds

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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:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.9615992
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.9615992
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9