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| CAS No.: | 4123-72-2 |
|---|---|
| Name: | 4-Amino-3,5-dibromobenzoic acid |
| Molecular Structure: | |
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| Formula: | C7H5Br2NO2 |
| Molecular Weight: | 294.93 |
| Synonyms: | 3,5-Dibromo-4-aminobenzoicacid;3,5-Dibromo-p-aminobenzoic acid; |
| Density: | 2.159 g/cm3 |
| Melting Point: | 330 °C (decomp) |
| Boiling Point: | 391.108 °C at 760 mmHg |
| Flash Point: | 190.336 °C |
| PSA: | 63.32000 |
| LogP: | 3.07320 |
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Specification
The CAS registry number of Benzoic acid,4-amino-3,5-dibromo- is 4123-72-2. The systematic name is 4-amino-3,5-dibromobenzoic acid. In addition, the molecular formula is C7H5Br2NO2 and the molecular weight is 294.93. What's more, it belongs to the classes of Aromatic Carboxylic Acids; Amides; Anilides; Anhydrides & Salts. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 2; (3)ACD/BCF (pH 5.5): 8; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 64; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.7; (12)Molar Refractivity: 52.799 cm3; (13)Molar Volume: 136.613 cm3; (14)Polarizability: 20.931 ×10-24cm3; (15)Surface Tension: 70.763 dyne/cm; (16)Density: 2.159 g/cm3; (17)Flash Point: 190.336 °C; (18)Enthalpy of Vaporization: 67.571 kJ/mol; (19)Boiling Point: 391.108 °C at 760 mmHg.
Preparation of Benzoic acid,4-amino-3,5-dibromo-: it can be prepared by 4-amino-benzoic acid. This reaction will need reagents bromine and KBr, and solvents ethanol and H2O. The yield is about 37.3%.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1N)C(=O)O
(2)InChI: InChI=1/C7H5Br2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
(3)InChIKey: VWYQFZKTKAMCLU-UHFFFAOYAY