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| CAS No.: | 54389-67-2 |
|---|---|
| Name: | 4,4'-Dibromodiphenic acid |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C14H8Br2O4 |
| Molecular Weight: | 400.023 |
| Synonyms: | 4,4'-Dibromodiphenicacid;4,4'-dibromobiphenyl-2,2'-dicarboxylic acid; |
| Density: | 1.885 g/cm3 |
| Melting Point: | 246-250 °C |
| Boiling Point: | 497.8 °C at 760 mmHg |
| Flash Point: | 254.9 °C |
| PSA: | 74.60000 |
| LogP: | 4.27500 |
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Specification
The 4,4'-Dibromodiphenic acid with the CAS number 54389-67-2 is also called [1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dibromo-. The systematic name is 4,4'-dibromobiphenyl-2,2'-dicarboxylic acid. Its molecular formula is C14H8Br2O4. The product category is Electronic Chemicals.
The properties of the 4,4'-Dibromodiphenic acid are: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 74.6 Å2; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 80.08 cm3; (14)Molar Volume: 212.1 cm3; (15)Polarizability: 31.74×10-24cm3; (16)Surface Tension: 66.5 dyne/cm; (17)Enthalpy of Vaporization: 80.65 kJ/mol; (18)Vapour Pressure: 9.95×10-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(cc1)c2ccc(Br)cc2C(O)=O)C(O)=O
(2)InChI: InChI=1/C14H8Br2O4/c15-7-1-3-9(11(5-7)13(17)18)10-4-2-8(16)6-12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)
(3)InChIKey: SIRUSURTIAQXGZ-UHFFFAOYAA