AG007ZOO

135206-76-7 | 3-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride

AG007ZOO

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CAS Number	135206-76-7
Catalog Number	AG007ZOO(AGN-PC-0PKIUH)
Chemical Name	3-(Chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride
IUPAC Name	3-(chloromethyl)-1-methyl-1,2,4-triazole;hydrochloride
InChI	InChI=1S/C4H6ClN3.ClH/c1-8-3-6-4(2-5)7-8;/h3H,2H2,1H3;1H
InChI Key	KISIDCUHOLGEPR-UHFFFAOYSA-N
MDL Number	MFCD06738519
Molecular Formula	C4H7Cl2N3
Molecular Weight	168.0245
SMILES	CN1N=C(CCl)N=C1.[H]Cl
Synonyms	135206-76-7, 3-(chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride, 3-chloromethyl-1-methyl-1H-[1,2,4]triazole hydrochloride, AK164821, 3-(chloromethyl)-1-methyl-1,2,4-triazole hydrochloride, 3-chloromethyl-1-methyl-1H-1,2,4-triazole hydrochloride, 1H-1,2,4-Triazole, 3-(chloromethyl)-1-methyl-, monohydrochloride, KISIDCUHOLGEPR-UHFFFAOYSA-N, SCHEMBL940926, KS-000025HW, chloromethylmethyltriazolehydrochloride, MFCD09701417, AKOS005765959, GE-0746, RP10417, DB-063071, AM20080256, FT-0660241, A806901, J-510833, 3-(chloromethyl)-1-methyl-1,2,4-triazole;hydrochloride, 2-Methoxy-5-nitro-benzenesulfonyl chloride,

Complexity	77.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.002g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.021g/mol
Monoisotopic Mass	167.002g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number