AG001PYG

15805-10-4 | 1H-Benzotriazole, 6,6'-methylenebis-

AG001PYG

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CAS Number	15805-10-4
Catalog Number	AG001PYG(AGN-PC-0O4IB5)
Chemical Name	1H-Benzotriazole, 6,6'-methylenebis-
EC Number	239-903-1
IUPAC Name	5-(2H-benzotriazol-5-ylmethyl)-2H-benzotriazole
InChI	InChI=1S/C13H10N6/c1-3-10-12(16-18-14-10)6-8(1)5-9-2-4-11-13(7-9)17-19-15-11/h1-4,6-7H,5H2,(H,14,16,18)(H,15,17,19)
InChI Key	IWASLBFJTMJYHF-UHFFFAOYSA-N
MDL Number	MFCD00758857
Molecular Formula	C13H10N6
Molecular Weight	250.2587
SMILES	C12=CC(CC3=CC=C(NN=N4)C4=C3)=CC=C1NN=N2
Synonyms	15805-10-4, 1H-Benzotriazole, 5,5'-methylenebis-, 5,5'-Methylenebis(1H-benzotriazole), 5-(2H-benzotriazol-5-ylmethyl)-2H-benzotriazole, 1H-Benzotriazole, 6,6'-methylenebis-, 5,5'-METHYLENEBIS(BENZOTRIAZOLE), Bis(1H-benzo[d][1,2,3]triazol-5-yl)methane, 6-((1H-benzo[d][1,2,3]triazol-5-yl)methyl)-1H-benzo[d][1,2,3]triazole, CBDivE_003160, EINECS 239-903-1, 5,5'-Methylenebis-1H-benzotriazole, AC1L38TC, Oprea1_575307, Oprea1_703852, Oprea1_876094, SCHEMBL501616, DTXSID4065947, CTK4C9561, Methane, bis(5-benzotriazolyl)-, IWASLBFJTMJYHF-UHFFFAOYSA-N, 5,5-methylenebis-1h-benzotriazole, BCP18622, ZINC5425416, STK955468, 1H-Benzotriazole,6,6'-methylenebis-, AKOS015915008, 6,6'-methanediylbis(1H-benzotriazole), AN-19194, 1H-Benzotriazole, 5,5\\'-methylenebis-, 6,6'-Methylenebis-1H-1,2,3-benzotriazole, FT-0651870, I14-6885, 5-(1H-1,2,3-Benzotriazol-5-ylmethyl)-1H-1,2,3-benzotriazole #, 6-(1H-1,2,3-Benzotriazol-6-ylmethyl)-1H-1,2,3-benzotriazole, Methylenebisbenzotriazole, C13H10N6, CID85114, 5,5'-methylenebis(1H-benzotriazole?, C13-H10-N6,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.097g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	250.265g/mol
Monoisotopic Mass	250.097g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228
Packing Group	Ⅲ
Precautionary statements	P210-P240-P241-P280-P370+P378
UN Code	UN 1325

Certificate of Analysis

Lot Number