AG003I7F

69658-97-5 | 3-(Chloromethyl)pyrazole, HCl

AG003I7F

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CAS Number	69658-97-5
Catalog Number	AG003I7F(AGN-PC-0TWBOR)
Chemical Name	3-(Chloromethyl)pyrazole, HCl
IUPAC Name	5-(chloromethyl)-1H-pyrazole;hydrochloride
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
MDL Number	MFCD08234808
Molecular Formula	C4H6Cl2N2
Molecular Weight	153.0098
SMILES	Cl.ClCC1=NNC=C1
Synonyms	69658-97-5, 3-(Chloromethyl)pyrazole Hydrochloride, 3-(Chloromethyl)-1H-pyrazole hydrochloride, 3-(Chloromethyl)pyrazole HCl, 5-(chloromethyl)-1H-pyrazole hydrochloride, 1H-Pyrazole, 3-(chloromethyl)-, monohydrochloride, 3-(Chloromethyl)pyrazole, HCl, SCHEMBL7224735, SCHEMBL20526534, IPKKDQOUBFUVGT-UHFFFAOYSA-N, 3-chloromethylpyrazole hydrochloride, KS-00000D2X, 3-(Chloromethyl)pyrazoleHydrochloride, ANW-68700, MFCD08234808, 1-pyrazolylmethylchloride-hydrochloride, AKOS016005885, TRA-0177395, AS-31276, SC-52047, SY012821, DB-074200, TC-157445, 3-(Chloromethyl);-1H-pyrazole hydrochloride, FT-0704083, Z-4211, MFCD08234808 (97+%), 3- -1H-PYRAZOLE, 3-(CHLOROMETHYL)-1H-PYRAZOLE, 1H-Pyrazole,3-(chloromethyl)-,monohydrochloride,

Complexity	57.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.991g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	153.006g/mol
Monoisotopic Mass	151.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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