AG003JXN

27996-86-7 | 4-[1,2,4]Triazol-1-yl-benzaldehyde

AG003JXN

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CAS Number	27996-86-7
Catalog Number	AG003JXN(AGN-PC-0KKXKF)
Chemical Name	4-[1,2,4]Triazol-1-yl-benzaldehyde
IUPAC Name	4-(1,2,4-triazol-1-yl)benzaldehyde
InChI	InChI=1S/C9H7N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-7H
InChI Key	TVEJNWMWDIXPAX-UHFFFAOYSA-N
MDL Number	MFCD02681969
Molecular Formula	C9H7N3O
Molecular Weight	173.1714
SMILES	C2=C([N]1C=NC=N1)C=CC(=C2)C=O
Synonyms	27996-86-7, 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde, 4-[1,2,4]Triazol-1-yl-benzaldehyde, 4-(1,2,4-triazol-1-yl)benzaldehyde, 4-(1H-1,2,4-triazol-1-yl)benzenecarbaldehyde, Benzaldehyde, 4-(1H-1,2,4-triazol-1-yl)-, 1-(4-Formylphenyl)-1,2,4-triazole, Benzaldehyde,4-(1H-1,2,4-triazol-1-yl)-, AC1MCR0A, AC1Q6PTJ, MLS000755837, SCHEMBL951176, Jsp005402, CHEMBL1546355, CTK4G0602, DTXSID90380121, TVEJNWMWDIXPAX-UHFFFAOYSA-N, HMS2617K17, ZINC158900, 4-(1,2,4-triazolyl)benzaldehyde, ACN-S003072, ANW-51285, MFCD02681969, SBB052128, AKOS000117958, AC-2867, CS-W002951, CT-1000, MCULE-8671529990, RP02803, TRA0095006, WT82281, 4-(1,2,4-triazol-1-yl)-benzaldehyde, 4-[1,2,4] triazol-1-yl-benzaldehyde, 4-[1,2,4]-triazol-1-yl-benzaldehyde, 4-[1,2,4]Triazol-1-yl -benzaldehyde, AJ-15395, AK-16219, AN-13533, BC671089, BR-16219, CJ-01849, SC-27063, SMR000337498, SY003201, ZB007127, 4-(1H-1,2,4-Triazole-1-yl)benzaldehyde, AB0023932, DB-006530, TR-012447, 4-(1H-1,2,4-triazol-1-yl)-benzaldehyde, AM20061121, F0903, FT-0616469, ST24032839, W5093, EN300-27590, S-2603, MFCD02681969 (97+%), 3T-0275, A819274, J-513209, 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde, AldrichCPR, I14-12966, 4- benzaldehyde, C9H7N3O, ZINC00158900, CID2776488,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.175g/mol
Monoisotopic Mass	173.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

Lot Number