(2R)-(4-fluorophenyl)(hydroxy)ethanoate
4-fluoromandelic acid
CAS: 395-33-5
Molecular Formula: C8H7FO3
(2R)-(4-fluorophenyl)(hydroxy)ethanoate - Names and Identifiers
| Name | 4-fluoromandelic acid |
| Synonyms | 4-Fluoromandelic acid 4-FLUOROMANDELIC ACID 4-fluoromandelic acid p-Fluoromandelic acid P-FLUOROMANDELIC ACID P-fluoro mandelic acid 4-Fluoro-DL-Mandelic Acid 4-fluoro-à-hydroxyphenylacetic acid (4-fluorophenyl)(hydroxy)acetic acid 2-(4-fluorophenyl)-2-hydroxyacetic acid (2R)-(4-fluorophenyl)(hydroxy)ethanoate 4-Fluoro-alpha-hydroxyphenylacetic acid (2S)-(4-fluorophenyl)(hydroxy)ethanoate 4-FLUORO-ALPHA-(HYDROXY)PHENYLACETIC ACID |
| CAS | 395-33-5 |
| EINECS | 206-899-8 |
| InChI | InChI=1/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/p-1/t7-/m1/s1 |
(2R)-(4-fluorophenyl)(hydroxy)ethanoate - Physico-chemical Properties
| Molecular Formula | C8H7FO3 |
| Molar Mass | 170.14 |
| Density | 1.425±0.06 g/cm3(Predicted) |
| Melting Point | 136-137°C |
| Boling Point | 322.4±27.0 °C(Predicted) |
| Flash Point | 148.8°C |
| Vapor Presure | 0.000115mmHg at 25°C |
| BRN | 2211001 |
| pKa | 3.17±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00044402 |
(2R)-(4-fluorophenyl)(hydroxy)ethanoate - 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. |
| Hazard Class | IRRITANT |
(2R)-(4-fluorophenyl)(hydroxy)ethanoate - Introduction
4-fluoromandelic acid(4-fluoromandelic acid) is an organic compound with the chemical formula C8H7FO3. The following is a description of its nature, use, preparation and safety information:
Nature:
- 4-fluoromandelic acid is a solid, usually in the form of white crystals.
-It is odorless at room temperature, acidic crystals.
- 4-fluoromandelic acid is slightly soluble in water and soluble in organic solvents such as ethanol and dimethylformamide.
-It has two chiral centers, so there are four isomers.
Use:
- 4-fluoromandelic acid can be used as an intermediate in organic synthesis.
-It has certain application value in the field of medicine and can be used to synthesize biologically active compounds.
-In addition, 4-fluoromandelic acid also has certain applications in the preparation of organometallic complexes, chemical analysis and catalytic reactions.
Preparation Method:
-Starting from p-aminobenzoic acid (p-aminobenzoic acid), first introduce fluorine atoms through aromatic nuclear substitution reaction, then reduce the amino carboxyl group to aldehyde group, and finally carry out carboxylation reaction of carboxylic acid hydroxyl group to obtain 4-fluoromandelic acid.
Safety Information:
- 4-fluoromandelic acid is not currently classified as a carcinogen.
-However, long-term and high-dose exposure may cause health hazards, such as irritation to the skin and eyes.
-When handling 4-fluoromandelic acid, direct contact with skin, eyes and inhalation of dust or gas should be avoided.
-When used in the laboratory, correct laboratory practices should be followed and appropriate personal protective equipment should be worn.
Nature:
- 4-fluoromandelic acid is a solid, usually in the form of white crystals.
-It is odorless at room temperature, acidic crystals.
- 4-fluoromandelic acid is slightly soluble in water and soluble in organic solvents such as ethanol and dimethylformamide.
-It has two chiral centers, so there are four isomers.
Use:
- 4-fluoromandelic acid can be used as an intermediate in organic synthesis.
-It has certain application value in the field of medicine and can be used to synthesize biologically active compounds.
-In addition, 4-fluoromandelic acid also has certain applications in the preparation of organometallic complexes, chemical analysis and catalytic reactions.
Preparation Method:
-Starting from p-aminobenzoic acid (p-aminobenzoic acid), first introduce fluorine atoms through aromatic nuclear substitution reaction, then reduce the amino carboxyl group to aldehyde group, and finally carry out carboxylation reaction of carboxylic acid hydroxyl group to obtain 4-fluoromandelic acid.
Safety Information:
- 4-fluoromandelic acid is not currently classified as a carcinogen.
-However, long-term and high-dose exposure may cause health hazards, such as irritation to the skin and eyes.
-When handling 4-fluoromandelic acid, direct contact with skin, eyes and inhalation of dust or gas should be avoided.
-When used in the laboratory, correct laboratory practices should be followed and appropriate personal protective equipment should be worn.
Last Update：2024-04-09 20:44:15
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CAS: 395-33-5
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