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3-Chloro-1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

3-Chloro-1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride - CAS 654072-76-1

Catalog:	BB050926
Product Name:	3-Chloro-1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CAS:	654072-76-1
Synonyms:	1H-Pyrazole-4-sulfonyl chloride, 3-chloro-1,5-dimethyl-

Technical Data

Computed Properties

IUPAC Name:	3-chloro-1,5-dimethylpyrazole-4-sulfonyl chloride
Molecular Weight:	229.08
Molecular Formula:	C5H6Cl2N2O2S
Canonical SMILES:	CC1=C(C(=NN1C)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C5H6Cl2N2O2S/c1-3-4(12(7,10)11)5(6)8-9(3)2/h1-2H3
InChI Key:	HMMBADPPIXZONQ-UHFFFAOYSA-N
Boiling Point:	334.6±42.0°C (Predicted)
Purity:	≥95%
Density:	1.66±0.1 g/cm3 (Predicted)

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[856848-33-4]
2-Amino-4,5-dibromopyridine

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.952704
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.952704
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6