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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

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[751-38-2]
1,2,3,4-Tetraphenylnaphthalene
[87117-22-4]
1,4-Bis(2-ethylhexyl)benzene
[90817-87-1]
5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
[582-16-1]
2,7-Dimethylnaphthalene

Halides

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[4860-03-1]
1-Chlorohexadecane
[111-85-3]
1-Chlorooctane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[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
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[874-87-3]
4-(Methylthio)benzyl chloride
[1879-16-9]
4-Methoxythioanisole
[52147-97-4]
trans-β-Styrenesulfonyl chloride
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[88778-21-6]
2-(2-Methoxyethoxy)ethanethiol

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