AG003032

30431-54-0 | Ethanedioic acid, 1,2-bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester

AG003032

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CAS Number	30431-54-0
Catalog Number	AG003032(AGN-PC-0JLZZ5)
Chemical Name	Ethanedioic acid, 1,2-bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester
EC Number	250-195-3
IUPAC Name	bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate
InChI	InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChI Key	TZZLVFUOAYMTHA-UHFFFAOYSA-N
MDL Number	MFCD00191674
Molecular Formula	C26H24Cl6O8
Molecular Weight	677.1820
SMILES	ClC1=C(C(=C(C(=C1)Cl)Cl)C(=O)OCCCCC)OC(C(=O)OC1=C(C=C(C(=C1C(=O)OCCCCC)Cl)Cl)Cl)=O
Synonyms	bis(2,4,5-trichloro-6-carbopentoxyphenyl)oxalate, CPPO, 30431-54-0, Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalate, Bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate, Oxalic Acid Bis[2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl] Ester, Bis(2,4,5-trichloro-6-carbopentoxyphenyl)oxalate, Ethanedioic acid, bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester, bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate, bis-[2,4,5-Trichloro-6-(penthyloxycarbonyl)phenyl]oxalate, Ethanedioic acid, 1,2-bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester, bis(3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl) oxalate, C26H24Cl6O8, Ethanedioic acid, bis(3,4,6-trichloro-2-((pentyloxy)carbonyl)phenyl) ester, Ethanedioic acid, 1,2-bis(3,4,6-trichloro-2-((pentyloxy)carbonyl)phenyl) ester, EINECS 250-195-3, ACMC-1AELX, AC1L3PKP, SCHEMBL79416, Jsp005743, DTXSID0067559, CTK4G5188, ANW-26873, MFCD00191674, ZINC95713265, AKOS015837625, TR-013078, FT-0623115, O0236, A820371, W-106942, Bis(2-carbopentyloxy-3,4,6-trichlorophenyl) oxalate, I14-61531, Bis(2,4,5-trichlorophenyl-6-carbopentoxyphenyl) oxalate, Bis[2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl] Oxalate, bis[3,4,6-tris(chloranyl)-2-pentoxycarbonyl-phenyl] ethanedioate, Oxalic acid bis(3,4,6-trichloro-2-pentyloxycarbonylphenyl) ester, Oxalic Acid Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] Ester, oxalic acid bis[3,4,6-trichloro-2-[oxo(pentoxy)methyl]phenyl] ester, Ethanedioic acid,1,2-bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester, CPPO, 89536_FLUKA, C26-H24-Cl6-O8, CID93137, Bis(2,4,5-trichlorophenyl-6-carbopentoxyphenyl)oxalate,

Complexity	795
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	675.957g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	677.17g/mol
Monoisotopic Mass	673.96g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
UN Code

Certificate of Analysis

Lot Number