619-21-6
3-Formylbenzoic acid
CAS: 619-21-6
Molecular Formula: C8H6O3
619-21-6 - Names and Identifiers
| Name | 3-Formylbenzoic acid |
| Synonyms | 3-formylbenzoate CHEMPACIFIC 41257 3-formyl-benzoicaci TIMTEC-BB SBB008438 RARECHEM AL BO 0010 M-FORMYLBENZOIC ACID 3-FORMYLBENZOIC ACID 3-Formylbenzoic acid 3-Formyl-Benzoic Acid 3-CARBOXYBENZALDEHYDE 3-Carboxybenzaldehyde ISOPHTHALALDEHYDIC ACID Benzoic acid, 3-formyl- |
| CAS | 619-21-6 |
| EINECS | 210-585-6 |
| InChI | InChI=1/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)/p-1 |
| InChIKey | UHDNUPHSDMOGCR-UHFFFAOYSA-N |
619-21-6 - Physico-chemical Properties
| Molecular Formula | C8H6O3 |
| Molar Mass | 150.13 |
| Density | 1.2645 (rough estimate) |
| Melting Point | 173-175°C(lit.) |
| Boling Point | 231.65°C (rough estimate) |
| Flash Point | 168.6°C |
| Solubility | Soluble in methanol (100 mg/mL) gives a clear to slightly hazy, colorless to very faintly brown. |
| Vapor Presure | 6.11E-05mmHg at 25°C |
| Appearance | White to bright yellow powder |
| Color | White to light yellow |
| BRN | 2206413 |
| pKa | 3.84(at 25℃) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Air Sensitive |
| Refractive Index | 1.4500 (estimate) |
| MDL | MFCD00039575 |
| Physical and Chemical Properties | 3-carboxyl benzaldehyde is an aldehyde derivative, melting point 173-175°C(lit.), the boiling point was 231.65 ° C. (roughestimate), the density was 1.2645(roughestimate), the refractive index was 1.4500(estimate), and the acidity coefficient (pKa) was 3.84(at 25 ° C.). Its chemical structure is a conjugated system composed of benzene ring and benzaldehyde group. The aldehyde group is an active group and can participate in a variety of chemical reactions, such as oxidation, reduction, condensation and other reactions of the aldehyde group; In addition, the benzene ring can also occur electrophilic substitution reaction. Thus, 3-carboxybenzaldehyde is an important organic intermediate for the construction of complex compounds. |
619-21-6 - 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. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29183000 |
619-21-6 - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | 3-carboxybenzaldehyde as a very important intermediate in organic synthesis, because of its unique chemical structure, it has shown important application value and broad development prospects in the field of organic synthesis. It has been widely used in many fields such as the construction of complex structure compound skeleton, the synthesis of drug intermediates, the synthesis of natural products and the development of fluorescent materials. |
| synthesis method | methyl 3-formylbenzoate (6.15g,37.46 mmol) in methanol (61.5 mL) and 2 M aqueous sodium hydroxide solution (37.5 mL,75 mmol) in a mixture of r.t. After stirring for 1 h, thin layer chromatography (petroleum ether: ethyl acetate = 1:1) showed that the reaction was complete. The reaction mixture was acidified to pH = 2 with 80 mL 1 M aqueous hydrochloric acid and the resulting mixture was concentrated in vacuo. The residue was extracted three times with ethyl acetate, the combined organic layers were washed with brine, dried over anhydrous sodium sulfate, and the solvent was removed in vacuo to give 3-formylbenzoic acid. The yield was 5.59g,99.5%, and 3-carboxybenzaldehyde was obtained as a white solid. Figure 3-structural formula of carboxybenzaldehyde |
Last Update：2024-04-09 20:52:54
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