3-Chloro-1-methylpyrazole - CAS 63425-54-7

Catalog:	BB032136
Product Name:	3-Chloro-1-methylpyrazole
CAS:	63425-54-7
Synonyms:	3-chloro-1-methylpyrazole; 3-chloro-1-methylpyrazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-1-methylpyrazole
Description:	3-Chloro-1-methylpyrazole (CAS# 63425-54-7) is a useful research chemical.
Molecular Weight:	116.55
Molecular Formula:	C4H5ClN2
Canonical SMILES:	CN1C=CC(=N1)Cl
InChI:	InChI=1S/C4H5ClN2/c1-7-3-2-4(5)6-7/h2-3H,1H3
InChI Key:	GWZMWAZUCSGVLQ-UHFFFAOYSA-N
Boiling Point:	159 °C
Density:	1.26 g/cm³
LogP:	1.07350

Publication Number	Title	Priority Date
WO-2021062327-A1	Fused pyrimidine compounds, compositions and medicinal applications thereof	20190927
CN-109796408-A	A kind of synthetic method of 5- difluoro-methoxy-3- Trifluoromethyl-1-methylpyrazole	20190121
CN-108912056-A	A kind of new benzoyl pyrimidine carbamide compounds and its preparation and application	20180810
CN-107778316-A	A kind of preparation method of Pyrazolopyrimidine compound intermediate	20171129
CN-107955008-A	A kind of synthetic method of Pyrazolopyrimidines	20171129

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Related Functional Groups

Pyrazoles

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1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.0141259
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2