1,3-Dimethyl-1H-pyrazole-4-sulfonyl chloride - CAS 89501-93-9

Catalog:	BB047257
Product Name:	1,3-Dimethyl-1H-pyrazole-4-sulfonyl chloride
CAS:	89501-93-9
Synonyms:	1H-Pyrazole-4-sulfonylchloride, 1,3-dimethyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1,3-dimethylpyrazole-4-sulfonyl chloride
Description:	1,3-Dimethyl-1H-pyrazole-4-sulfonyl chloride (CAS# 89501-93-9 ) is a useful research chemical.
Molecular Weight:	194.64
Molecular Formula:	C5H7ClN2O2S
Canonical SMILES:	CC1=NN(C=C1S(=O)(=O)Cl)C
InChI:	InChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3
InChI Key:	AFFSTQSBJFQGPY-UHFFFAOYSA-N
Boiling Point:	303.4±30.0 °C (Predicted)
Purity:	95 %
Density:	1.52±0.1 g/cm³ (Predicted)
Appearance:	Colorless oil

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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[452-76-6]
2,4-Difluorotoluene

Pyrazoles

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1876647-04-9]
3-Bromo-1-(3,3,3-trifluoropropyl)-1H-pyrazole
[119022-51-4]
3-Hydroxy-1-methyl-5-(trifluoromethyl)pyrazole
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.9916763
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.9916763
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7