20826-04-4
5-Bromonicotinic acid
CAS: 20826-04-4
Molecular Formula: C6H4BrNO2
20826-04-4 - Names and Identifiers
| Name | 5-Bromonicotinic acid |
| Synonyms | NSC 9461 BRN 0115854 AKOS BBS-00007710 TIMTEC-BB SBB003524 RARECHEM AL BO 0841 5-BROMONICOTINC ACID 5-Bromonicotinic acid 5-Bromo nicotinic acid Nicotinic acid, 5-bromo- 5-bromopyridine-3-carboxylate 5-BROMO-3-PYRIDINECARBOXYLIC ACID 5-Bromo-3-pyridinecarboxylic acid 5-bromopyridine-3-carboxylic acid 3-BROMO PYRIDINE-5-CARBOXYLIC ACID 3-BROMO-5-PYRIDINE CARBOXYLIC ACID 3-PYRIDINECARBOXYLIC ACID, 5-BROMO- 3-Pyridinecarboxylic acid, 5-bromo- (9CI) 5-22-02-00181 (Beilstein Handbook Reference) |
| CAS | 20826-04-4 |
| EINECS | 244-065-5 |
| InChI | InChI=1/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)/p-1 |
| InChIKey | FQIUCPGDKPXSLL-UHFFFAOYSA-N |
20826-04-4 - Physico-chemical Properties
| Molecular Formula | C6H4BrNO2 |
| Molar Mass | 202.01 |
| Density | 1.7477 (rough estimate) |
| Melting Point | 178-180°C(lit.) |
| Boling Point | 259.67°C (rough estimate) |
| Flash Point | 152.5°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.01Pa at 25℃ |
| Appearance | White powder |
| Color | White to yellow-gray or light brown |
| BRN | 115854 |
| pKa | 3.08±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.6120 (estimate) |
| MDL | MFCD00009783 |
20826-04-4 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| RTECS | QT0868000 |
| HS Code | 29333999 |
| Hazard Class | IRRITANT |
20826-04-4 - Reference Information
| LogP | 1.17-1.29 at 23.5℃ and pH6.4 |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | abdominal cavity-mouse LD50: 462 mg/kg |
| flammability hazard characteristics | flammability; thermal decomposition produces toxic nitrogen oxides and bromide smoke; reaction with oxidant |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants and food additives |
| fire extinguishing agent | carbon dioxide, foam, sand, mist water |
Last Update：2024-04-09 15:16:48
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