4-Imidazolesulfonyl Chloride - CAS 58767-51-4

Catalog:	BB030158
Product Name:	4-Imidazolesulfonyl Chloride
CAS:	58767-51-4
Synonyms:	1H-imidazole-5-sulfonyl chloride; 1H-imidazole-5-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	1H-imidazole-5-sulfonyl chloride
Description:	4-Imidazolesulfonyl Chloride (CAS# 58767-51-4) is a useful research chemical.
Molecular Weight:	166.59
Molecular Formula:	C3H3ClN2O2S
Canonical SMILES:	C1=C(NC=N1)S(=O)(=O)Cl
InChI:	InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)
InChI Key:	MXCZCMCHRWGSBX-UHFFFAOYSA-N
Boiling Point:	418.2 °C at 760 mmHg
Density:	1.706 g/cm³
Solubility:	Slightly soluble in water.
Appearance:	White solid
MDL:	MFCD08687938
LogP:	1.41800

Publication Number	Title	Priority Date
CN-111517902-A	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof	20190201
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
US-2021323960-A1	Fused tri-cyclic compound as pde3/pde4 dual inhibitor	20180713
CA-3078195-A1	Novel sulfonamide carboxamide compounds	20171109
BR-112020008981-A2	new sulfonamide carboxamide compounds	20171109

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Related Functional Groups

Sulfur Compounds

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[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate

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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:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.9603762
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.9603762
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4