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| CAS No.: | 52833-94-0 |
|---|---|
| Name: | 2-Amino-5-bromonicotinic acid |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C6H5BrN2O2 |
| Molecular Weight: | 217.022 |
| Synonyms: | 2-amino-5-bromo-pyridine-3-carboxylic acid;5-Bromo-2-Amino Nicotinic Acid;2-Amino-5-bromo-3-pyridinecarboxylic acid;2-amino-5-bromopyridine-3-carboxylic acid; |
| Density: | 1.909 g/cm3 |
| Melting Point: | 253-255 °C |
| Boiling Point: | 350.4 °C at 760 mmHg |
| Flash Point: | 165.7 °C |
| Appearance: | light yellow power |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 76.21000 |
| LogP: | 1.70570 |
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Specification
The 2-Amino-5-bromonicotinic acid is a kind of categories in Amines; blocks; Bromides; Carboxes; Pyridines; Amino Acids and Derivatives; pharmacetical; Carboxylic Acids; Pyridine; Carboxylic Acids. Its cas registry number is 52833-94-0 with appearance of light yellow power. Its IUPAC name is called 2-amino-5-bromopyridine-3-carboxylic acid.
Physical properties about this chemical are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.258; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.097; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1 ; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 43.2 cm3; (13)Molar Volume: 113.652 cm3 ; (14)Surface Tension: 79.982 dyne/cm; (15)Density: 1.91 g/cm3; (16)Flash Point: 165.686 °C; (17)Enthalpy of Vaporization: 62.783 kJ/mol; (18)Boiling Point: 350.35 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Wear suitable gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Store it in a cool, dry, well-ventilated area away from incompatible substances with a container tightly closed.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=NC=C1Br)N)C(=O)O;
(2)InChI: InChI=1S/C6H5BrN2O2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,8,9)(H,10,11);
(3)InChIKey: IEPDTLRHISNBLB-UHFFFAOYSA-N