AG003KG0

3457-48-5 | 1,2-Di-p-tolylethane-1,2-dione

AG003KG0

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CAS Number	3457-48-5
Catalog Number	AG003KG0(AGN-PC-0JLQEO)
Chemical Name	1,2-Di-p-tolylethane-1,2-dione
EC Number	222-388-2
IUPAC Name	1,2-bis(4-methylphenyl)ethane-1,2-dione
InChI	InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key	BCWCEHMHCDCJAD-UHFFFAOYSA-N
MDL Number	MFCD00008554
Molecular Formula	C16H14O2
Molecular Weight	238.2812
NSC Number	22505
SMILES	O=C(C1=CC=C(C)C=C1)C(C2=CC=C(C)C=C2)=O
Synonyms	4,4'-dimethylbenzil, p,p'-dimethylbenzil, 4,4'-Dimethylbenzil, 3457-48-5, 1,2-Di-p-tolylethane-1,2-dione, p-Tolil, MFCD00008554, 1,2-bis(4-methylphenyl)ethane-1,2-dione, Ethanedione, bis(4-methylphenyl)-, 4,4'-Dimethyldibenzoyl, Ethandione, bis(p-tolyl)-, 1,2-dip-tolylethane-1,2-dione, BCWCEHMHCDCJAD-UHFFFAOYSA-N, AK105959, 1,2-Bis(4-methylphenyl)-1,2-ethanedione, AE-562/06268025, Di-p-tolylethanedione, EINECS 222-388-2, AC1Q5DTX, ACMC-209i8d, AC1L2S4L, Benzil-based compound, 18, SCHEMBL167254, 4,4'-Dimethylbenzil, 97%, CHEMBL192625, BDBM22740, DTXSID60188116, NSC22505, ZINC1590056, ANW-27899, IMED56980335, NSC-22505, SBB057167, bis(4-methylphenyl)ethane-1,2-dione, 1,2-bis(p-tolyl)-ethane-1,2-dione, AKOS001043874, ACM3457485, DS-2685, MCULE-7303585740, QC-1616, KS-0000107E, AJ-27676, CC-17182, CJ-25432, SC-66011, AB0063066, AB1002150, AX8092229, ST2414747, TC-116644, D1875, FT-0617089, ST50308479, Z4626, 1,2-Bis(4-methylphenyl)-1,2-ethanedione #, 1,2-ethanedione, 1,2-bis(4-methylphenyl)-, 4,4 inverted exclamation marka-Dimethylbenzil, M-7950, C-34625, I14-6755, I14-46596, InChI=1/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H, 4,4/'-Dimethylbenzil, D0UK5A, C16H14O2, CID76996, 1,2-Di-p-tolyl-ethane-1,2-dione, AR-1F7926, ZINC01590056, ACN-040369, C16-H14-O2, 35718-03-7,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.099g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.286g/mol
Monoisotopic Mass	238.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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