CAS No.26040-51-7,bis(2-ethylhexyl) tetrabromophthalate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26040-51-7
Name:	bis(2-ethylhexyl) tetrabromophthalate
Article Data:	8
Cas Database

Formula:	C₂₄H₃₄Br₄O₄
Molecular Weight:	706.148
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
Boiling Point:	584.8 °C at 760 mmHg
Flash Point:	307.5 °C
Solubility:	794μg/L at 20℃
Appearance:	clear amber liquid
PSA:	52.60000
LogP:	9.48300

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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