4-Fluorobenzene-1,2-dicarboxylic acid
3-fluorophthalic acid
CAS: 1583-67-1
Molecular Formula: C8H5FO4
4-Fluorobenzene-1,2-dicarboxylic acid - Names and Identifiers
| Name | 3-fluorophthalic acid |
| Synonyms | NSC 402999 3-Fluorophthalic 3-Fluorophthalic acid 3-FLUOROPHTHALIC ACID 3-fluorophthalic acid 3-fluorobenzene-1,2-dicarboxylate 4-fluorobenzene-1,2-dicarboxylic acid 3-FLUORO-1,2-BENZENEDICARBOXYLIC ACID 3-fluorobenzene-1,2-dicarboxylic acid 1,2-Benzenedicarboxylic acid, 3-fluoro- |
| CAS | 1583-67-1 |
| EINECS | 216-433-5 |
| InChI | InChI=1/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)/p-2 |
| InChIKey | BBCQSMSCEJBIRD-UHFFFAOYSA-N |
4-Fluorobenzene-1,2-dicarboxylic acid - Physico-chemical Properties
| Molecular Formula | C8H5FO4 |
| Molar Mass | 184.12 |
| Density | 1.4111 (estimate) |
| Melting Point | 175-177 °C (lit.) |
| Boling Point | 367.9±27.0 °C(Predicted) |
| Flash Point | 176.3°C |
| Vapor Presure | 4.63E-06mmHg at 25°C |
| Appearance | White to light yellow crystal powder |
| BRN | 2616684 |
| pKa | 2.32±0.10(Predicted) |
| Storage Condition | Store below +30°C. |
| MDL | MFCD00039524 |
4-Fluorobenzene-1,2-dicarboxylic acid - 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 |
| WGK Germany | 3 |
| HS Code | 29173990 |
| Hazard Class | IRRITANT |
4-Fluorobenzene-1,2-dicarboxylic acid - Reference Information
| use | 3-fluoro phthalic acid is white to light yellow crystal powder. it is a chemical and pharmaceutical intermediate with a wide range of uses, such as the preparation of the third generation quinolone antibacterial drugs (J. Med. Chem.,1995,38,4478). |
| preparation method | (I) using 2,6-difluorobenzonitrile as the starting material, 2,6-difluorobenzonitrile is ammoniated in aprotic solvent to obtain 2-amino -6-fluorobenzonitrile; (II) 2-amino, 6-fluorobenzonitrile is first subjected to diazotization reaction, and then reacted with liquid HBr to obtain 2-bromo-6-fluorobenzonitrile; (III) In an aprotic solvent, 2-bromo-6-fluorobenzonitrile is subjected to cyanidation reaction to obtain 3-fluoro-phthalonitrile; (IV) 3-fluoro-phthalic acid is hydrolyzed in an aqueous solution of inorganic acid to obtain 3-fluoro-phthalic acid. |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
Last Update：2024-04-09 01:59:58
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