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| CAS No.: | 75057-62-4 |
|---|---|
| Name: | 2-AMINO-4,5-DIBROMOBENZOIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H5Br2NO2 |
| Molecular Weight: | 294.93 |
| Synonyms: | Anthranilicacid, 4,5-dibromo- (6CI);4,5-Dibromoanthranilic acid; |
| Density: | 2.158 g/cm3 |
| Melting Point: | 228-229℃ (decomposition) |
| Boiling Point: | 383.9 °C at 760 mmHg |
| Flash Point: | 186 °C |
| PSA: | 63.32000 |
| LogP: | 3.07320 |
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- Total:33 Page 1 of 1 1
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Specification
The Benzoic acid,2-amino-4,5-dibromo- with CAS registry number of 75057-62-4 is also called 2-Amino-4,5-dibromobenzoic acid. Its molecular formula is C7H5Br2NO2, and molecular weight is 294.93. Its systematic name is 2-Amino-4,5-dibromobenzoic acid.
Physical properties about this chemical are: (1) ACD/LogP: 3.59; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.05; (4) ACD/LogD (pH 7.4): 0.62; (5) ACD/BCF (pH 5.5): 9.15; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 62.04; (8) ACD/KOC (pH 7.4): 2.3; (9) #H bond acceptors: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 29.54 Å2; (13) Index of Refraction: 1.699; (14) Molar Refractivity: 52.79 cm3; (15) Molar Volume: 136.6 cm3; (16) Polarizability: 20.93×10-24 cm3; (17) Surface Tension: 70.7 dyne/cm; (18) Density: 2.158 g/cm3; (19) Flash Point: 186 °C; (20) Enthalpy of Vaporization: 66.72 kJ/mol; (21) Boiling Point: 383.9 °C at 760 mmHg; (22) Vapour Pressure: 1.4E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(C(=O)O)c(cc1Br)N;
(2) InChI: InChI=1/C7H5Br2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12);
(3) InChIKey: RJQGTUPMSDNELX-UHFFFAOYAN;
(4) Std. InChI: InChI=1S/C7H5Br2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12);
(5) Std. InChIKey: RJQGTUPMSDNELX-UHFFFAOYSA-N