4-Chlorobenzenesulfonyl isocyanate - CAS 5769-15-3

Catalog:	BB029792
Product Name:	4-Chlorobenzenesulfonyl isocyanate
CAS:	5769-15-3
Synonyms:	4-chloro-N-(oxomethylidene)benzenesulfonamide

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4-chloro-N-(oxomethylidene)benzenesulfonamide
Description:	4-Chlorobenzenesulfonyl isocyanate (CAS# 5769-15-3) is a useful intermediate for organic synthesis and other chemical processes.
Molecular Weight:	217.63
Molecular Formula:	C7H4ClNO3S
Canonical SMILES:	C1=CC(=CC=C1S(=O)(=O)N=C=O)Cl
InChI:	InChI=1S/C7H4ClNO3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H
InChI Key:	JGHDVROWMPBQSR-UHFFFAOYSA-N
Boiling Point:	121 ℃ (0.5 mmHg)
Density:	1.457 g/cm³
MDL:	MFCD00009978
LogP:	2.44530

Publication Number	Title	Priority Date
CN-110698365-A	Method for synthesizing sulfonylguanidine from tetra-substituted urea in one step	20190919
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
US-2020270257-A1	Chemical Compounds	20190130
WO-2020160075-A1	Chemical compounds	20190130
WO-2020008317-A1	Acylsufonamide compounds useful as ep3 receptor antagonists	20180703

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	307
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.9600419
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.9600419
Rotatable Bond Count:	2
Topological Polar Surface Area:	72 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9