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| CAS No.: | 601-84-3 |
|---|---|
| Name: | 2,6-Dibromobenzoic acid |
| Molecular Structure: | |
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| Formula: | C7H4Br2O2 |
| Molecular Weight: | 279.916 |
| Synonyms: | Benzoic acid, 2,6-dibromo-; |
| Density: | 2.083 g/cm3 |
| Melting Point: | 151-152℃ |
| Boiling Point: | 333.4 °C at 760 mmHg |
| Flash Point: | 155.4 °C |
| PSA: | 37.30000 |
| LogP: | 2.90980 |
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Specification
The 2,6-Dibromobenzoic acid, with the CAS registry number 601-84-3, is also known as Benzoic acid, 2,6-dibromo-. It belongs to the product categories of Classes of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C7H4Br2O2 and molecular weight is 279.91. What's more, its IUPAC name is 2,6-dibromobenzoic acid.
Physical properties of 2,6-Dibromobenzoic acid are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.74; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 48.56 cm3; (15)Molar Volume: 134.3 cm3; (16)Polarizability: 19.25×10-24cm3; (17)Surface Tension: 57.7 dyne/cm; (18)Density: 2.083 g/cm3; (19)Flash Point: 155.4 °C; (20)Enthalpy of Vaporization: 60.83 kJ/mol; (21)Boiling Point: 333.4 °C at 760 mmHg; (22)Vapour Pressure: 5.42E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(Br)cccc1Br
(2)Std. InChI: InChI=1S/C7H4Br2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
(3)Std. InChIKey: HQLOEBRPCVIFCT-UHFFFAOYSA-N