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5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-sulfonyl chloride

5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-sulfonyl chloride - CAS 1855907-11-7

Catalog:	BB050908
Product Name:	5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-sulfonyl chloride
CAS:	1855907-11-7
Synonyms:	1H-Pyrazole-4-sulfonyl chloride, 5-(difluoromethyl)-1-methyl-

Technical Data

Computed Properties

IUPAC Name:	5-(difluoromethyl)-1-methylpyrazole-4-sulfonyl chloride
Molecular Weight:	230.62
Molecular Formula:	C5H5ClF2N2O2S
Canonical SMILES:	CN1C(=C(C=N1)S(=O)(=O)Cl)C(F)F
InChI:	InChI=1S/C5H5ClF2N2O2S/c1-10-4(5(7)8)3(2-9-10)13(6,11)12/h2,5H,1H3
InChI Key:	JYRQCHIOKURMSJ-UHFFFAOYSA-N
Boiling Point:	328.2±42.0°C (Predicted)
Purity:	≥95%
Density:	1.71±0.1 g/cm3 (Predicted)

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Related Functional Groups

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[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
[111-85-3]
1-Chlorooctane

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
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[85-47-2]
1-Naphthalenesulfonic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.9728326
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.9728326
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9