trans-2,5-Difluorocinnamic acid
- CAS No.
- 112898-33-6
- Chemical Name:
- trans-2,5-Difluorocinnamic acid
- Synonyms
- CAS:112898-33-6;RARECHEM AL BK 0214;2,5-DIFLUOROCINNAMIC ACID;trans-2,5-Difluorocinnamic acid;trans-2,5-Difluorociamic acid,98%;trans-2,5-Difluorocinnamicacid97%;trans-2,5-Difluorocinnamic acid 97%;trans-2,5-DifluorocinnaMic acid,98%;3-(2,5-Difluoro-phenyl)-acrylic acid;(E)-3-(2,5-difluorophenyl)acrylic acid
- CBNumber:
- CB5348853
- Molecular Formula:
- C9H6F2O2
- Molecular Weight:
- 184.14
- MDL Number:
- MFCD00010318
- MOL File:
- 112898-33-6.mol
- MSDS File:
- SDS
| Melting point | 138-140 °C (lit.) |
|---|---|
| Boiling point | 278.5±25.0 °C(Predicted) |
| Density | 1.3056 (estimate) |
| storage temp. | Store at room temperature |
| pka | 4.16±0.10(Predicted) |
| form | powder |
| color | Off-white |
| BRN | 7918450 |
| InChI | InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+ |
| InChIKey | XAWHCSKPALFWBI-DAFODLJHSA-N |
| SMILES | C(O)(=O)/C=C/C1=CC(F)=CC=C1F |
| CAS DataBase Reference | 112898-33-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,5-Difluorocinnamic acid(112898-33-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-26/37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29163990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
trans-2,5-Difluorocinnamic acid price More Price(39)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 290343 | trans-2,5-Difluorocinnamic acid 98% | 112898-33-6 | 5g | $121 | 2026-04-30 | Buy |
| Apolloscientific | PC2762 | trans-2,5-Difluorocinnamic acid 97% | 112898-33-6 | 5g | $22 | 2026-06-04 | Buy |
| Apolloscientific | PC2762 | trans-2,5-Difluorocinnamic acid 97% | 112898-33-6 | 25g | $73 | 2026-06-04 | Buy |
| Apolloscientific | PC2762 | trans-2,5-Difluorocinnamic acid 97% | 112898-33-6 | 100g | $256 | 2026-06-04 | Buy |
| Activate Scientific | AS206867 | trans-2,5-Difluorocinnamic Acid 95% | 112898-33-6 | 1g | $24 | 2026-06-04 | Buy |
trans-2,5-Difluorocinnamic acid Chemical Properties, Uses, Production
Chemical Properties
white crystalline powder
Uses
trans-2,5-Difluorocinnamic acid may be used in chemical synthesis.
Synthesis
110-89-4
2646-90-4
112898-33-6
The general procedure for the synthesis of trans-2,5-difluorocinnamic acid from hexahydropyridine and 2,5-difluorobenzaldehyde is as follows: 1. piperidine (2 mL, 20.2 mmol) and pyridine (50 mL) were added to a mixture of 2,5-difluorobenzaldehyde (12.07 g, 85.0 mmol) and malonic acid (18.28 g, 175.6 mmol) under stirring conditions. 2. The reaction mixture was heated to reflux (oil bath temperature 100 °C) under nitrogen protection and maintained for 2 hours. Effervescence was observed during the reaction for about 90 minutes, initially intense then gradually diminishing. 3. Upon completion of the reaction, the mixture was cooled to 20-25 °C and slowly poured into a stirred 2 M hydrochloric acid solution (310 mL) and the pH was adjusted to 1. The reaction was carried out at 20-25 °C. 4. After aging the precipitate for 1 hour at 20-25°C, it was filtered. The filter cake was washed with distilled water (2 x 50 mL) and subsequently dried for 1 hour. 5. The dried solid product was dissolved in tert-butyl methyl ether (TBME, 250 mL) to separate the organic and aqueous phases. The aqueous phase was extracted once more with TBME (100 mL). 6. The organic phases were combined, dried with magnesium sulfate (25 g), filtered and concentrated by rotary evaporator to give the white solid product trans-2,5-difluorocinnamic acid (13.4 g, 85.7% yield).
References
[1] Patent: US2003/139457, 2003, A1
[2] Patent: US2005/70578, 2005, A1
trans-2,5-Difluorocinnamic acid Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Shanghai Sinch Parmaceuticals Tech. Co. Ltd. | +86-21-54098501 | sales@sinch.com.cn | China | 11592 | 64 |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| XiaoGan ShenYuan ChemPharm co,ltd | 15527621225; 15527621225 | 1791901229@qq.com | China | 6741 | 52 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
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