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1-Sec-butyl-4-chloro-3-methyl-1H-pyrazole-5-sulfonyl chloride

1-Sec-butyl-4-chloro-3-methyl-1H-pyrazole-5-sulfonyl chloride - CAS 1245823-80-6

Catalog:	BB053393
Product Name:	1-Sec-butyl-4-chloro-3-methyl-1H-pyrazole-5-sulfonyl chloride
CAS:	1245823-80-6
Synonyms:	1-sec-butyl-4-chloro-3-methyl-1H-pyrazole-5-sulfonylchloride

Technical Data

Computed Properties

IUPAC Name:	2-butan-2-yl-4-chloro-5-methylpyrazole-3-sulfonyl chloride
Molecular Weight:	271.16
Molecular Formula:	C8H12Cl2N2O2S
Canonical SMILES:	CCC(C)N1C(=C(C(=N1)C)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C8H12Cl2N2O2S/c1-4-5(2)12-8(15(10,13)14)7(9)6(3)11-12/h5H,4H2,1-3H3
InChI Key:	ZGKIYYUBTWCCJV-UHFFFAOYSA-N
Boiling Point:	363.8±42.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm3

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[4860-03-1]
1-Chlorohexadecane

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[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
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride

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
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[162894-76-0]
2-Hydroxyethane-1-sulfonamide

Complexity:	317
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.9996542
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	269.9996542
Rotatable Bond Count:	3
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8