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
| Product description | Number | Pack Size | Price |
| trans-2,5-Difluorocinnamic acid 98% | 290343 | 5g | $121 |
| trans-2,5-Difluorocinnamic acid 98% | 2921-3-25 | 100g | $175 |
| 2,5-Difluorocinnamic acid | 116455 | 10.00g | $112 |
| 2,5-Difluorocinnamic acid | 116455 | 25.00g | $240 |
| (E)-3-(2,5-Difluorophenyl)acrylic acid 98% | AA003UT0 | 250mg | $9 |
| More product size | |||
| 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(43)
| 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 |
| SynQuest Laboratories | 2921-3-25 | trans-2,5-Difluorocinnamic acid 98% | 112898-33-6 | 100g | $175 | 2026-05-22 | Buy |
| Matrix Scientific | 116455 | 2,5-Difluorocinnamic acid | 112898-33-6 | 10.00g | $112 | 2026-05-18 | Buy |
| Matrix Scientific | 116455 | 2,5-Difluorocinnamic acid | 112898-33-6 | 25.00g | $240 | 2026-05-18 | Buy |
| aablocks | AA003UT0 | (E)-3-(2,5-Difluorophenyl)acrylic acid 98% | 112898-33-6 | 250mg | $9 | 2026-05-28 | 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 | |
|---|---|---|---|---|---|
| Capot Chemical Co.,Ltd. | +8613336195806 | sales@capot.com | China | 29640 | 60 |
| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63687 | 58 |
| Wuhan Chemwish Technology Co., Ltd | 027-67849912 | sales@chemwish.com | CHINA | 10821 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49979 | 58 |
| Fuxin Pharmaceutical | +86-021-021-50872116 +8613122107989 | contact@fuxinpharm.com | China | 10000 | 58 |
| Zhengzhou Alfa Chemical Co.,Ltd | +8618530059196 | sale04@alfachem.cn | China | 9542 | 58 |
| SIMAGCHEM CORP | +86-5922680277 +86-13806087780 | sale@simagchem.com | China | 17346 | 58 |
| Win-Win chemical CO., Limited | +86-0086-577-64498589 +86-15355981851 | sales@win-winchemical.com | China | 14304 | 58 |
| Shaanxi Dideu Medichem Co. Ltd | +86-029-89586680 +86-18192503167 | 1026@dideu.com | China | 10000 | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | +86-0571-88938639 +8617705817739 | info@dycnchem.com | China | 52705 | 58 |
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