AG00344V

4233-33-4 | 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione

AG00344V

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CAS Number	4233-33-4
Catalog Number	AG00344V(AGN-PC-0WAJTD)
Chemical Name	4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione
EC Number	224-191-7
IUPAC Name	4-phenyl-1,2,4-triazole-3,5-dione
InChI	InChI=1S/C8H5N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H
InChI Key	ISULLEUFOQSBGY-UHFFFAOYSA-N
MDL Number	MFCD00003148
Molecular Formula	C8H5N3O2
Molecular Weight	175.1442
NSC Number	150362
SMILES	O=C1N=NC(=O)N1C1=CC=CC=C1
Synonyms	4-phenyl-1,2,4-triazoline-3,5-dione, PTAD, 4-Phenyl-1,2,4-triazoline-3,5-dione, 4233-33-4, 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione, PTAD, 4-phenyl-1,2,4-triazole-3,5-dione, NSC 150362, MFCD00003148, NSC150362, AK-25957, EINECS 224-191-7, 4-Phenyldehydrourazole, N-Phenylazodicarboximide, ACMC-209jp0, N-Phenylazodicarboxylic Imide, 4-Phenyl-3,5-Dioxotriazole, MLS001074866, SCHEMBL447260, AC1L2U38, BDBM7836, Triazolidinedione Derivative 35, CHEMBL1354682, DTXSID00195142, ISULLEUFOQSBGY-UHFFFAOYSA-N, HMS2231D03, BCP22712, ZINC3957569, ANW-29794, AKOS015840708, AKOS025243308, ACM4233334, CM14415, FCH1114304, MCULE-6333176286, NSC-150362, QC-1396, TRA0007970, VZ29670, 4-phenyl-1,2,4-triazolin-3,5-dione, 4-phenyl-[1,2,4]triazole-3,5-dione, 4-Phenyl-1,2,3-triazoline-3,5-dione, NCGC00247001-01, AJ-47519, AN-16608, SC-53650, SMR000568397, SY019495, AB0031203, DB-017444, RT-000760, ST2411591, TR-016598, FT-0619393, P1184, ST51006783, X4200, MFCD00003148 (95%), 4-Phenyl-1,2,4-triazoline-3,5-dione, 97%, 233P334, A825856, 4-Phenyl-| currency1-1,2,4-triazoline-3,5-dione, 4-phenyl-3H-1,2,4-triazole-3,5(4H)-dione;PTAD, 4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3,5-dione, 3,5-Dihydro-4-phenyl-4eta-1,2,4-triazole-3,5-dione, 3,5-DIHYDRO-4-PHENYL-4H-1,2,4-TRIAZOLE-3,5-DIONE, 4-Phenyl-1,2,4-triazoline-3,5-dione, for HPLC derivatization, >=98.0% (CHN), 4-Phenylurazole, N-Phenyltriazolinedione, C8H5N3O2, Azodicarboxylic Acid N-Phenylimide, 4-Phenyl-1,2,4-triazolidine-3,5-dione, C8-H5-N3-O2, CID77913, CS-T-60513, 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, 15988-11-1, 3H-1,2,4-Triazole-3,5(4H)-dione, 4-phenyl-,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.147g/mol
Monoisotopic Mass	175.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number