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3-(Chloromethyl)pyrazole Hydrochloride

3-(Chloromethyl)pyrazole Hydrochloride - CAS 69658-97-5

Catalog:	BB033914
Product Name:	3-(Chloromethyl)pyrazole Hydrochloride
CAS:	69658-97-5
Synonyms:	5-(chloromethyl)-1H-pyrazole;hydrochloride; 5-(chloromethyl)-1H-pyrazole;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	5-(chloromethyl)-1H-pyrazole;hydrochloride
Description:	3-(Chloromethyl)pyrazole Hydrochloride (CAS# 69658-97-5 ) is a useful research chemical.
Molecular Weight:	153.01
Molecular Formula:	C4H6Cl2N2
Canonical SMILES:	C1=C(NN=C1)CCl.Cl
InChI:	InChI=1S/C4H5ClN2.ClH/c5-3-4-1-2-6-7-4;/h1-2H,3H2,(H,6,7);1H
InChI Key:	IPKKDQOUBFUVGT-UHFFFAOYSA-N
LogP:	1.95050

Publication Number	Title	Priority Date
WO-2021098745-A1	Preparation and application of a class of protein receptor kinase inhibitors	20191118
WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
US-2021017169-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
WO-2020260857-A1	Hydroxamate compounds as antagonists of the adenosine a2a receptor	20190613
TW-201944993-A	CBL-B inhibitor and use method thereof	20180126

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.9908036
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	151.9908036
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0