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Sulfur Compounds
3,5-dimethylisoxazole-4-sulfonyl chloride

3,5-dimethylisoxazole-4-sulfonyl chloride - CAS 80466-79-1

Catalog:	BB036507
Product Name:	3,5-dimethylisoxazole-4-sulfonyl chloride
CAS:	80466-79-1
Synonyms:	3,5-dimethyl-4-isoxazolesulfonyl chloride; 3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride
Description:	3,5-dimethylisoxazole-4-sulfonyl chloride (CAS# 80466-79-1) is a useful research chemical.
Molecular Weight:	195.62
Molecular Formula:	C5H6ClNO3S
Canonical SMILES:	CC1=C(C(=NO1)C)S(=O)(=O)Cl
InChI:	InChI=1S/C5H6ClNO3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3
InChI Key:	GZLPFEYTAAXJCP-UHFFFAOYSA-N
Boiling Point:	310.8 °C at 760 mmHg
Purity:	98 %
Density:	1.452 g/cm³
MDL:	MFCD00052554
LogP:	2.29970

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

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GHS Hazard Statement:	H314 (88.89%): 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, P337+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.9756919
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.9756919
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2