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1-Methyl-3-phenyl-1H-pyrazole-5-sulfonyl chloride

1-Methyl-3-phenyl-1H-pyrazole-5-sulfonyl chloride - CAS 1249907-52-5

Catalog:	BB051837
Product Name:	1-Methyl-3-phenyl-1H-pyrazole-5-sulfonyl chloride
CAS:	1249907-52-5
Synonyms:	chloro(1-methyl-3-phenylpyrazol-5-yl)sulfone

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-methyl-5-phenylpyrazole-3-sulfonyl chloride
Molecular Weight:	256.71
Molecular Formula:	C10H9ClN2O2S
Canonical SMILES:	CN1C(=CC(=N1)C2=CC=CC=C2)S(=O)(=O)Cl
InChI:	InChI=1S/C10H9ClN2O2S/c1-13-10(16(11,14)15)7-9(12-13)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:	DSRAAWGTLMPNTC-UHFFFAOYSA-N

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Related Functional Groups

Arenes

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[605-02-7]
1-Phenylnaphthalene
[10442-48-5]
2-(4-Iodophenoxy)propanoic Acid
[1198396-39-2]
2-bromo-11,11-dimethyl-11H-Benzo[b]fluorene

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[111-85-3]
1-Chlorooctane

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.0073264
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.0073264
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3