(2E)-3-(3,4-difluorophenyl)prop-2-enoic acid
trans-3,4-Difluorocinnamic acid
CAS: 112897-97-9
Molecular Formula: C9H6F2O2
(2E)-3-(3,4-difluorophenyl)prop-2-enoic acid - Names and Identifiers
| Name | trans-3,4-Difluorocinnamic acid |
| Synonyms | AKOS 92715 TIMTEC-BB SBB006677 RARECHEM BK HW 0122 3,4-DIFLUOROCINNAMIC ACID TRANS-3,4-DIFLUOROCINNAMIC ACID trans-3,4-Difluorocinnamic acid (2E)-3-(3,4-difluorophenyl)acrylic acid (2E)-3-(3,4-difluorophenyl)prop-2-enoate (2E)-3-(3,4-difluorophenyl)prop-2-enoic acid (E)-3,4-Difluorophenylacrylic acid, (2E)-3-(3,4-Difluorophenyl)prop-2-enoic acid |
| CAS | 112897-97-9 |
| InChI | InChI=1/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/p-1/b4-2+ |
(2E)-3-(3,4-difluorophenyl)prop-2-enoic acid - Physico-chemical Properties
| Molecular Formula | C9H6F2O2 |
| Molar Mass | 184.14 |
| Density | 1.3056 (estimate) |
| Melting Point | 194-196°C(lit.) |
| Boling Point | 281.3±25.0 °C(Predicted) |
| Flash Point | 124°C |
| Solubility | soluble in Methanol |
| Vapor Presure | 0.0017mmHg at 25°C |
| Appearance | White powder or crystal |
| Color | White to Almost white |
| BRN | 7370322 |
| pKa | 4.27±0.10(Predicted) |
| Storage Condition | 2-8°C |
| MDL | MFCD00010320 |
| Physical and Chemical Properties | WGK Germany:3 |
(2E)-3-(3,4-difluorophenyl)prop-2-enoic 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. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Hazard Class | IRRITANT |
(2E)-3-(3,4-difluorophenyl)prop-2-enoic acid - Introduction
3,4-Difluorocinnamic acid is an organic compound with the chemical formula C9H7F2O2. The following is a description of its nature, use, preparation and safety information:
Nature:
-Appearance: Colorless crystalline solid
-Melting point: 103-106°C
-Boiling point: 355°C
-Solubility: Insoluble in water, soluble in organic solvents such as ethanol, acetone, etc.
-Sensitivity: Stable in air, avoid contact with strong oxidants
Use:
- 3,4-Difluorocinnamic acid is commonly used as a pharmaceutical intermediate, which can be used to synthesize antibacterial drugs, antiparasitic drugs and antiviral drugs
-In organic synthesis, it is sometimes used as a catalyst or reaction substrate
Preparation Method:
The preparation method of 3,4-difluorocinnamic acid can be carried out by the following steps:
1.3,4-difluorobenzaldehyde reacts with acetic anhydride to generate ethyl 3,4-difluorocinnamate.
2. reacting ethyl 3,4-difluorocinnamate with hydrofluoric acid or potassium fluoride to give 3,4-difluorocinnamic acid.
Safety Information:
- 3,4-difluorocinnamic acid has a certain acute toxicity, pay attention to avoid inhalation, swallowing or skin contact.
-Pay attention to avoid contact with strong oxidants and strong acids during operation and storage to reduce unsafe conditions.
-In use, follow proper laboratory safety practices and use appropriate protective equipment, such as gloves, safety glasses and laboratory ventilation.
-When disposing of waste, it should be classified and disposed in accordance with relevant regulations.
Nature:
-Appearance: Colorless crystalline solid
-Melting point: 103-106°C
-Boiling point: 355°C
-Solubility: Insoluble in water, soluble in organic solvents such as ethanol, acetone, etc.
-Sensitivity: Stable in air, avoid contact with strong oxidants
Use:
- 3,4-Difluorocinnamic acid is commonly used as a pharmaceutical intermediate, which can be used to synthesize antibacterial drugs, antiparasitic drugs and antiviral drugs
-In organic synthesis, it is sometimes used as a catalyst or reaction substrate
Preparation Method:
The preparation method of 3,4-difluorocinnamic acid can be carried out by the following steps:
1.3,4-difluorobenzaldehyde reacts with acetic anhydride to generate ethyl 3,4-difluorocinnamate.
2. reacting ethyl 3,4-difluorocinnamate with hydrofluoric acid or potassium fluoride to give 3,4-difluorocinnamic acid.
Safety Information:
- 3,4-difluorocinnamic acid has a certain acute toxicity, pay attention to avoid inhalation, swallowing or skin contact.
-Pay attention to avoid contact with strong oxidants and strong acids during operation and storage to reduce unsafe conditions.
-In use, follow proper laboratory safety practices and use appropriate protective equipment, such as gloves, safety glasses and laboratory ventilation.
-When disposing of waste, it should be classified and disposed in accordance with relevant regulations.
Last Update：2024-04-09 02:00:41
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