Benzoic acid, 3-amino-4-methyl-
3-Amino-4-methylbenzoic acid
CAS: 2458-12-0
Molecular Formula: C8H9NO2
Benzoic acid, 3-amino-4-methyl- - Names and Identifiers
| Name | 3-Amino-4-methylbenzoic acid |
| Synonyms | H-(3)ATL(4)-OH H-(3)ABZ(4-ME)-OH 3-AMINO-P-TOLUIC ACID 3-Amino-p-toluic acid 3-AMINO-4-TOLUIC ACID 3-Amino-4-methylbenzoic 3-amino-4-methylbenzoate 3-AMINO-4-METHYLBENZOIC ACID 3-Amino-4-methylbenzoic acid 4-Methyl -3-Aminobenzoic acid Benzoic acid, 3-amino-4-methyl- 3-AMINO-4-METHYLBENZOATE(3-AMINO-P-TOLUIC ACID) |
| CAS | 2458-12-0 |
| EINECS | 219-543-1 |
| InChI | InChI=1/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11)/p-1 |
| InChIKey | XKFIFYROMAAUDL-UHFFFAOYSA-N |
Benzoic acid, 3-amino-4-methyl- - Physico-chemical Properties
| Molecular Formula | C8H9NO2 |
| Molar Mass | 151.16 |
| Density | 1.2023 (rough estimate) |
| Melting Point | 164-168 °C (lit.) |
| Boling Point | 273.17°C (rough estimate) |
| Flash Point | 173.3°C |
| Water Solubility | Very soluble in water. |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 6.64E-06mmHg at 25°C |
| Appearance | Gray yellow pink block-powder |
| Color | Pink to grayish |
| BRN | 2082449 |
| pKa | 4.61±0.10(Predicted) |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Stability | Hygroscopic |
| Refractive Index | 1.5810 (estimate) |
| MDL | MFCD00007742 |
Benzoic acid, 3-amino-4-methyl- - 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 |
| HS Code | 29224995 |
Benzoic acid, 3-amino-4-methyl- - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Use | 3-amino -4-methylbenzoic acid is used as the starting material to synthesize cycloproparsine compounds with potential anti-tumor activity. 3-Amino-4-methylbenzoic acid also has partial herbicidal activity. |
| Preparation | 0.5 g3-nitro-4-methyl-benzoic acid (2.76mmol,1.0 equivalent) was dissolved in 30mL of methanol, 5% Pd/C was added and stirred vigorously for 3 hours in a hydrogen atmosphere. The catalyst was then filtered with ethyl acetate through a short silica gel column, and the organic phase was concentrated in vacuum. 400 mg3-amino-4-methylbenzoic acid (2.65mmol,96%) in a pale yellow solid was obtained. |
Last Update：2024-04-09 20:02:46
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