2-Chlorobenzenesulfonyl isocyanate - CAS 64900-65-8

Catalog:	BB032588
Product Name:	2-Chlorobenzenesulfonyl isocyanate
CAS:	64900-65-8
Synonyms:	2-chloro-N-(oxomethylidene)benzenesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-N-(oxomethylidene)benzenesulfonamide
Description:	2-Chlorobenzenesulfonylisocyanate can be used to treat inflammatory and immunological diseases.
Molecular Weight:	217.63
Molecular Formula:	C7H4ClNO3S
Canonical SMILES:	C1=CC=C(C(=C1)S(=O)(=O)N=C=O)Cl
InChI:	InChI=1S/C7H4ClNO3S/c8-6-3-1-2-4-7(6)13(11,12)9-5-10/h1-4H
InChI Key:	LALCDSDHLXWTTL-UHFFFAOYSA-N
Boiling Point:	285 ℃ (lit.)
Density:	1.484 g/mL at 25 ℃ (lit.)
Appearance:	Liquid
MDL:	MFCD00037078
LogP:	2.44530

Publication Number	Title	Priority Date
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
TW-202003448-A	Adducts of amine catalysts for producing isocyanurate polymers	20180413
WO-2019197638-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413
CN-112020525-A	Adducts of amine catalysts for making isocyanurate polymers	20180413
EP-3774961-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413

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Related Functional Groups

Nitrogen Compounds

[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[514801-07-1]
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[351-28-0]
3'-Fluoroacetanilide
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile
[5071-96-5]
3-Methoxybenzylamine
[512809-77-7]
5-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbaldehyde

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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:	315
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:	2.5