2-Formylbenzoic acid
2-Carboxybenzaldehyde
CAS: 119-67-5
Molecular Formula: C8H6O3
2-Formylbenzoic acid - Names and Identifiers
| Name | 2-Carboxybenzaldehyde |
| Synonyms | Phthalaldehyd 2-formylbenzoate 2-formyl-benzoicaci 2-Formylbenzoic acid 2-Carboxybenzaldehyd Phthalaldehydic acid o-Formylbenzoic acid 2-Carboxybenzaldehyde 2-Formyl-benzoic acid LABOTEST-BB LT02084879 O-Phthalaidethydic acid Hydralazine IMpurity 03 BENZALDEHYDE-2-CARBOXYLIC ACID Benzaldehyde-2-carboxylic Acid2-Carboxybenzaldehyde2-Formylbenzoic Acid |
| CAS | 119-67-5 |
| EINECS | 204-342-3 |
| InChI | InChI=1/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)/p-1 |
| InChIKey | DYNFCHNNOHNJFG-UHFFFAOYSA-N |
2-Formylbenzoic acid - Physico-chemical Properties
| Molecular Formula | C8H6O3 |
| Molar Mass | 150.13 |
| Density | 1,404 g/cm3 |
| Melting Point | 94-96°C(lit.) |
| Boling Point | 231.65°C (rough estimate) |
| Flash Point | 198°(388°F) |
| Water Solubility | soluble |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.00012mmHg at 25°C |
| Appearance | Crystallization |
| Color | White to slightly beige |
| BRN | 742381 |
| pKa | 4.57±0.10(Predicted) |
| PH | 2 (20g/l, H2O, 20℃) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Air Sensitive |
| Refractive Index | 1.4500 (estimate) |
| MDL | MFCD00003336 |
| Physical and Chemical Properties | Melting point 96-99°C water-soluble solution |
| Use | Used as a pharmaceutical Intermediate |
2-Formylbenzoic acid - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| 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. |
| UN IDs | PG2 |
| WGK Germany | 2 |
| RTECS | TH7015000 |
| TSCA | Yes |
| HS Code | 29183000 |
| Hazard Note | Irritant |
2-Formylbenzoic acid - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | o-carboxybenzaldehyde can be used as an organic synthesis reagent. 2-Carboxybenzaldehyde is an aldehyde derivative that can be used as an organic reagent. 2-Carboxybenzaldehyde is a carboxylated derivative of benzaldehyde that can be easily converted to 2-hydroxymethylbenzoic acid by CBA dehydrogenase. 2-Carboxybenzaldehyde is a metabolite of ampicillin phthalates. |
| introduction | o-carboxybenzaldehyde is an important intermediate in the synthesis of antipyretic and analgesic drugs. it is a white to white crystalline powder with a melting point of 96~100 ℃. |
| Preparation method | o-carboxybenzaldehyde is usually obtained by bromination and hydrolysis of phenol. Heat the phenol, pass the bromine reaction, control the feed speed, make the reaction tail gas basically free of bromine vapor, pass the bromine, add water to the reactant, and hydrolyze. Cooling to precipitate o-carboxybenzaldehyde. |
| Use | Used as a pharmaceutical intermediate Organic synthesis. |
| production method | is obtained by bromination and hydrolysis of phenol. Heating phthalide to 140-145 ℃, bromine reaction, control the feed speed, so that the reaction tail gas is basically free of bromine vapor. After bromine is passed, the residual hydrogen bromide is removed by carbon dioxide and reduced pressure at 120 ℃. Water was added to the reactant and hydrolyzed in a boiling water bath for 0.5h. Cooling to precipitate o-carboxybenzaldehyde. 60% yield. |
Last Update：2024-04-09 15:16:47
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