AG000CNK

1165-91-9 | Ethanedioic acid, 1,2-bis(2,4,6-trichlorophenyl) ester

AG000CNK

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CAS Number	1165-91-9
Catalog Number	AG000CNK(AGN-PC-0JPMRA)
Chemical Name	Ethanedioic acid, 1,2-bis(2,4,6-trichlorophenyl) ester
IUPAC Name	bis(2,4,6-trichlorophenyl) oxalate
InChI	InChI=1S/C14H4Cl6O4/c15-5-1-7(17)11(8(18)2-5)23-13(21)14(22)24-12-9(19)3-6(16)4-10(12)20/h1-4H
InChI Key	GEVPIWPYWJZSPR-UHFFFAOYSA-N
MDL Number	MFCD00043061
Molecular Formula	C14H4Cl6O4
Molecular Weight	448.8972
SMILES	O=C(OC1=C(Cl)C=C(Cl)C=C1Cl)C(OC2=C(Cl)C=C(Cl)C=C2Cl)=O
Synonyms	bis(2,4,6-trichlorophenyl)oxalate, bis-TCPO, Bis(2,4,6-trichlorophenyl) oxalate, 1165-91-9, Bis(2,4,6-trichlorophenyl)oxalate, Bis(2,4,6-trichlorophenyl)ethanedioate, Oxalic acid bis(2,4,6-trichlorophenyl) ester, 2,4,6-Trichlorophenyl oxalate, Ethanedioic acid, bis(2,4,6-trichlorophenyl) ester, AK-81484, bis[2,4,6-Trichlorophenyl]oxalate, Bis-tcpo, MFCD00043061, ACMC-20a7jt, AC1L4NUX, AC1Q3QMW, C14H4Cl6O4, SCHEMBL317719, CTK4A9876, GEVPIWPYWJZSPR-UHFFFAOYSA-, DTXSID80151403, GEVPIWPYWJZSPR-UHFFFAOYSA-N, KS-00000IP5, ZINC2168680, ANW-60711, AKOS015916014, AM84349, MCULE-5440720952, Bis(2,4,6-trichlorophenyl) ethanedioate, AJ-33901, AN-48752, AS-15209, CJ-33521, O485, SY036436, Bis(2,4,6-trichlorophenyl)oxalate, 98%, AB0016483, AX8017671, oxalic acid bis(2 4 6-trichlorophenyl) &, TR-003034, 4CH-023905, CS-0035441, FT-0622986, ST24046159, MFCD00043061 (97%), bis[2,4,6-tris(chloranyl)phenyl] ethanedioate, M-1012, Oxalic acid, bis(2,4,6-trichlorophenyl) ester, 165B919, A803648, C-35248, Ethanedioic acid bis(2,4,6-trichlorophenyl) ester, J-003458, I14-52174, Ethanedioic acid, 1,2-bis(2,4,6-trichlorophenyl) ester, Ethanedioic acid,1,2-bis(2,4,6-trichlorophenyl) ester, Bis(2,4,6-trichlorophenyl) oxalate, BioReagent, suitable for chemiluminescence, >=99.0% (AT), InChI=1/C14H4Cl6O4/c15-5-1-7(17)11(8(18)2-5)23-13(21)14(22)24-12-9(19)3-6(16)4-10(12)20/h1-4H, TCPO, TDPO, AR-1I0015, AR-1I0016, CID160567, ZINC02168680, 5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole, A2902, A5302, Bis(2,4,6-trichlorophenyl)oxalate, 98% - 1G 1g, 13551-73-0, 135518-30-8,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	447.821g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	448.882g/mol
Monoisotopic Mass	445.824g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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