RARECHEM AL BO 0269
3,4-Difluorobenzoic acid
CAS: 455-86-7
Molecular Formula: C7H4F2O2
RARECHEM AL BO 0269 - Names and Identifiers
| Name | 3,4-Difluorobenzoic acid |
| Synonyms | NSC 190686 TIMTEC-BB SBB006721 3,4-Difluorobenzoic RARECHEM AL BO 0269 3,4-difluorobenzoate 3,4-Difluorbenzoicacid 3,4-Difluorobenzoicacid 3,4-Difluorobenzoic acid 3, 4-2 fluoro benzoic acid Benzoic acid, 3,4-difluoro- 3-BroMo-4-isopropyoxynitrobenzene 3,4-DIFLUOROBENZOIC ACID FOR SYNTHESIS |
| CAS | 455-86-7 |
| EINECS | 207-249-6 |
| InChI | InChI=1/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)/p-1 |
| InChIKey | FPENCTDAQQQKNY-UHFFFAOYSA-N |
RARECHEM AL BO 0269 - Physico-chemical Properties
| Molecular Formula | C7H4F2O2 |
| Molar Mass | 158.1 |
| Density | 1.3486 (estimate) |
| Melting Point | 120-122°C(lit.) |
| Boling Point | 257.0±20.0 °C(Predicted) |
| Flash Point | 109.2°C |
| Water Solubility | slightly soluble in cold water |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.00766mmHg at 25°C |
| Appearance | Bright yellow crystal |
| Color | White |
| BRN | 2085848 |
| pKa | 3.80±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00011672 |
RARECHEM AL BO 0269 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - 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 |
| UN IDs | UN 2811 |
| WGK Germany | 3 |
| HS Code | 29163900 |
RARECHEM AL BO 0269 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | 3, 4-difluorobenzoic acid is a substituted benzoic acid compound. Substituted benzoic acids are organic synthetic intermediates that can be developed. They can be used in the production of organic chemical raw materials and a variety of pesticides. They are also synthetic intermediates for dyes, pesticides and medicines. It is a raw material for preservatives and fragrances, and can also be used for liquid crystal materials. It has the advantages of high value and good market prospects. |
| preparation | add Wittig reagent 3,4-difluorophenylformylmethylene triphenylphosphine 416mg(1mmol) into a dry 100mL round bottom flask, add THF30ml,1ml(9mmol)30% hydrogen peroxide solution, and react under nitrogen protection at 50 ℃. After 12 hours, the raw material wittig reagent reacted almost completely. After the reaction is over, most of the solvent is removed by spin evaporation, 10mL of dichloromethane and water are added, and the solvent is extracted. The organic phase is dried by adding anhydrous sodium sulfate and concentrated. The crude product was separated into a light yellow solid, 134mg, and the product was 85%. |
| use | important intermediate for preparing herbicide cyanflurane |
Last Update：2024-04-09 02:00:08
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