3-Chloro-2-fluorobenzenesulfonyl chloride - CAS 351003-48-0

Catalog:	BB022455
Product Name:	3-Chloro-2-fluorobenzenesulfonyl chloride
CAS:	351003-48-0
Synonyms:	3-chloro-2-fluorobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-2-fluorobenzenesulfonyl chloride
Description:	3-Chloro-2-fluorobenzenesulfonyl chloride (CAS# 351003-48-0) is a useful research chemical.
Molecular Weight:	229.06
Molecular Formula:	C6H3Cl2FO2S
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)F)S(=O)(=O)Cl
InChI:	InChI=1S/C6H3Cl2FO2S/c7-4-2-1-3-5(6(4)9)12(8,10)11/h1-3H
InChI Key:	LIRQNYQIFFLGIE-UHFFFAOYSA-N
Boiling Point:	287.2 °C at 760 mmHg
Density:	1.584 g/cm³
MDL:	MFCD03094234
LogP:	3.48740

Publication Number	Title	Priority Date
CN-113024514-A	Aminodithioformate compound, preparation method thereof, pharmaceutical composition and application thereof	20210326
WO-2021165346-A1	Gcn2 modulator compounds	20200217
WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219
EP-3718545-A1	Antitumor agent	20171129
US-2020405697-A1	Antitumor Agent	20171129

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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