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| CAS No.: | 58380-11-3 |
|---|---|
| Name: | 2-bromo-5-hydroxybenzoic acid |
| Molecular Structure: | |
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| Formula: | C7H5BrO3 |
| Molecular Weight: | 217.019 |
| Synonyms: | benzoic acid, 2-bromo-5-hydroxy- |
| Density: | 1.861 g/cm3 |
| Melting Point: | 185 °C (decomp) |
| Boiling Point: | 374.5 °C at 760 mmHg |
| Flash Point: | 180.3 °C |
| PSA: | 57.53000 |
| LogP: | 1.85290 |
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Specification
The CAS registry number of Benzoic acid, 2-bromo-5-hydroxy- is 58380-11-3. The systematic name is 2-Bromo-5-hydroxybenzoic acid. In addition, the molecular formula is C7H5BrO3 and the molecular weight is 217.02. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Benzoic acid, 2-bromo-5-hydroxy- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 57.53 Å2; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 42.75 cm3; (13)Molar Volume: 116.5 cm3; (14)Polarizability: 16.94×10-24cm3; (15)Surface Tension: 68.1 dyne/cm; (16)Density: 1.861 g/cm3; (17)Flash Point: 180.3 °C; (18)Enthalpy of Vaporization: 65.61 kJ/mol; (19)Boiling Point: 374.5 °C at 760 mmHg; (20)Vapour Pressure: 2.83E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(O)ccc1Br
(2)Std.InChI: InChI=1S/C7H5BrO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,(H,10,11)
(3)Std.InChIKey: HTCSAMJZDHWTKD-UHFFFAOYSA-N