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26040-51-7

Basic Information
CAS No.: 26040-51-7
Name: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester
Molecular Structure:
Molecular Structure of 26040-51-7 (1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester)
Formula: C24H34Br4O4
Molecular Weight: 706.14
Synonyms: 1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo-, bis(2-ethylhexyl) ester (9CI);Phthalic acid,tetrabromo-, bis(2-ethylhexyl) ester (8CI);Bis(2-ethylhexyl)tetrabromophthalate;DP 45;Di(2-ethylhexyl) tetrabromophthalate;Pyronil 45;Uniplex FRP 45;
EINECS: 247-426-5
Density: 1.529 g/cm3
Melting Point:
Boiling Point: 584.8 °C at 760 mmHg
Flash Point: 307.5 °C
Solubility:
Appearance: clear amber liquid
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 52.60000
LogP: 9.48300
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  • bis(2-ethylhexyl) tetrabromophthalate

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    26040-51-7

    bis(2-ethylhexyl) tetrabromophthalate

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  • Bis(2-ethylhexyl) 3,4,5,6-tetrabroMophthalate

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    26040-51-7

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  • Bis(2-ethylhexyl)3,4,5,6-tetrabromophthalate

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    26040-51-7

    Bis(2-ethylhexyl)3,4,5,6-tetrabromophthalate

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Specification

This chemical is called 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester, and its systematic name is bis(2-ethylhexyl) 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate. With the molecular formula of C24H34Br4O4, its molecular weight is 706.14. The CAS registry number of this chemical is 26040-51-7. 

Other characteristics of the 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1,2-bis(2-ethylhexyl) ester can be summarised as followings: (1)ACD/LogP: 10.08; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.08; (4)ACD/LogD (pH 7.4): 10.08; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7289193.5; (8)ACD/KOC (pH 7.4): 7289193.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 145.33 cm3; (15)Molar Volume: 461.8 cm3; (16)Polarizability: 57.61×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.529 g/cm3; (19)Flash Point: 307.5 °C; (20)Enthalpy of Vaporization: 87.38 kJ/mol; (21)Boiling Point: 584.8 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-13 mmHg at 25°C. 

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1c(c(c(Br)c(Br)c1Br)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
2.InChI: InChI=1/C24H34Br4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
3.InChIKey: UUEDINPOVKWVAZ-UHFFFAOYAH