4-Fluoro-3-cyanobenzenesulfonyl chloride - CAS 351003-23-1

Catalog:	BB022443
Product Name:	4-Fluoro-3-cyanobenzenesulfonyl chloride
CAS:	351003-23-1
Synonyms:	3-cyano-4-fluorobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-cyano-4-fluorobenzenesulfonyl chloride
Description:	4-Fluoro-3-cyanobenzenesulfonyl chloride (CAS# 351003-23-1) is a useful research chemical.
Molecular Weight:	219.62
Molecular Formula:	C7H3ClFNO2S
Canonical SMILES:	C1=CC(=C(C=C1S(=O)(=O)Cl)C#N)F
InChI:	InChI=1S/C7H3ClFNO2S/c8-13(11,12)6-1-2-7(9)5(3-6)4-10/h1-3H
InChI Key:	KDVZADPGGPBAAK-UHFFFAOYSA-N
Boiling Point:	332.8 ℃ at 760 mmHg
Density:	1.61 g/cm³
Appearance:	White to tan powder
MDL:	MFCD03093760
LogP:	2.70568

Publication Number	Title	Priority Date
WO-2021133896-A1	Transcriptional enhanced associate doman (tead) transcription factor inhibitors and uses thereof	20191224
CN-110452146-A	Trifluoromethyl seleno-amino acids derivative and preparation method thereof	20190829
US-2020407327-A1	Tead inhibitors and uses thereof	20190531
WO-2020243415-A2	Tead inhibitors and uses thereof	20190531
WO-2020119616-A1	Benzene sulfonamide substituted derivatives, preparation method therefor and use thereof	20181210

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Related Functional Groups

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Sulfur Compounds

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Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
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[85-47-2]
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3-(Trifluoromethylthio)phenyl isothiocyanate

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:	328
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.9557054
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.9557054
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8