CAS No.75203-51-9,Bis(2-carbopentyloxy-3,5,6-trichlorophenyl) oxalate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	75203-51-9
Name:	Bis(2-carbopentyloxy-3,5,6-trichlorophenyl) oxalate

Formula:	C₂₆H₂₄Cl₆O₈
Molecular Weight:	677.19
Synonyms:	Ethanedioicacid, bis[2,3,5-trichloro-6-[(pentyloxy)carbonyl]phenyl] ester (9CI);Bis(2-carbopentyloxy-3,5,6-trichlorophenyl) oxalate;Bis(2,3,5-trichloro-6-((pentyloxy)carbonyl)phenyl) oxalate;
EINECS:	278-124-1
Density:	1.434 g/cm³
Melting Point:	76-80 °C
Boiling Point:	692.1 °C at 760 mmHg
Flash Point:	202.4 °C
Safety:	24/25
PSA:	105.20000
LogP:	8.81200

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Specification

The IUPAC name of Bis(2-carbopentyloxy-3,5,6-trichlorophenyl) oxalate is bis(2,3,5-trichloro-6-pentoxycarbonylphenyl) oxalate. With the CAS registry number 75203-51-9, it is also named as Ethanedioic acid bis[2,3,5-trichloro-6-[(pentyloxy)carbonyl]phenyl] ester. The product's category is Industrial / Fine Chemicals. In addition, its molecular formula is C₂₆H₂₄Cl₆O₈ and molecular weight is 677.18.

The other characteristics of Bis(2-carbopentyloxy-3,5,6-trichlorophenyl) oxalate can be summarized as: (1)EINECS: 278-124-1; (2)ACD/LogP: 10.41; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 10.41; (5)ACD/LogD (pH 7.4): 10.41; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 10000000; (9)ACD/KOC (pH 7.4): 10000000; (10)#H bond acceptors: 8; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 17; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 153.85 cm³; (15)Molar Volume: 472.1 cm³; (16)Surface Tension: 48.9 dyne/cm; (17)Density: 1.434 g/cm³; (18)Flash Point: 202.4 °C; (19)Melting point: 76-80 °C; (20)Enthalpy of Vaporization: 101.41 kJ/mol; (21)Boiling Point: 692.1 °C at 760 mmHg; (22)Vapour Pressure: 5.27E-19 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc2c(OC(=O)C(=O)Oc1c(C(=O)OCCCCC)c(Cl)cc(Cl)c1Cl)c(c(Cl)cc2Cl)C(=O)OCCCCC
(2)InChI: InChI=1/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-13(27)11-15(29)19(31)21(17)39-25(35)26(36)40-22-18(14(28)12-16(30)20(22)32)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
(3)InChIKey: PURKHUDOTFUVNG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-13(27)11-15(29)19(31)21(17)39-25(35)26(36)40-22-18(14(28)12-16(30)20(22)32)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
(5)Std. InChIKey: PURKHUDOTFUVNG-UHFFFAOYSA-N