3-Cyanobenzenesulfonyl chloride - CAS 56542-67-7

Catalog:	BB029396
Product Name:	3-Cyanobenzenesulfonyl chloride
CAS:	56542-67-7
Synonyms:	3-cyanobenzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	3-cyanobenzenesulfonyl chloride
Description:	A benzenesulfonamide derivative as potential kinase inhibitors.
Molecular Weight:	201.63
Molecular Formula:	C7H4ClNO2S
Canonical SMILES:	C1=CC(=CC(=C1)S(=O)(=O)Cl)C#N
InChI:	InChI=1S/C7H4ClNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H
InChI Key:	BHNRGBRMCNHNQD-UHFFFAOYSA-N
Boiling Point:	148 °C (3 mmHg)
Melting Point:	49-53 °C
Purity:	95 %
Density:	1.53 g/cm³
MDL:	MFCD00203480
LogP:	2.56658

Publication Number	Title	Priority Date
EP-3896521-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
US-2021317268-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219
CN-112759536-A	Process for the preparation of substituted benzene sulfonyl chlorides	20191105
WO-2021005586-A1	Tricyclic akr1c3 dependent kars inhibitors	20190801

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Related Functional Groups

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GHS Hazard Statement:	H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	297
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.9651272
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.9651272
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7