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2-Chloro-4-fluorobenzenesulfonyl chloride

2-Chloro-4-fluorobenzenesulfonyl chloride - CAS 85958-57-2

Catalog:	BB037785
Product Name:	2-Chloro-4-fluorobenzenesulfonyl chloride
CAS:	85958-57-2
Synonyms:	2-chloro-4-fluorobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-4-fluorobenzenesulfonyl chloride
Description:	2-Chloro-4-fluorobenzenesulfonyl chloride (CAS# 85958-57-2) is a useful research chemical.
Molecular Weight:	229.06
Molecular Formula:	C6H3Cl2FO2S
Canonical SMILES:	C1=CC(=C(C=C1F)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C6H3Cl2FO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H
InChI Key:	FCFPJKHVCHKCMP-UHFFFAOYSA-N
Boiling Point:	294.9 °C at 760 mmHg
Density:	1.569 g/cm³
Appearance:	Clear yellow liquid after melting
MDL:	MFCD00052957
LogP:	3.48740

Publication Number	Title	Priority Date
CN-110590708-B	Aroyl piperazine compound, preparation method thereof and application thereof in antivirus	20190924
CN-109761980-A	A kind of Rutaecarpine analog derivative and its preparation method and application that 3- amido sulfoamido replaces	20190219
CN-109608369-A	Sulphonyl ester group anthraquinone derivatives and its preparation method and application	20181224
WO-2020117634-A1	Ire1 small molecule inhibitors	20181203
WO-2020104494-A1	New heterocyclic compounds	20181122

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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:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.9214841
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.9214841
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7