pentafluorophenol
pentafluorophenol
CAS: 771-61-9
Molecular Formula: C6HF5O
pentafluorophenol - Names and Identifiers
| Name | pentafluorophenol |
| Synonyms | PFP PFP-OH Pentafluorophe pentafluorophenol pentafluorophenol cation 2,3,4,5,6-Pentafluorophenol potassium pentafluorophenolate PENTAFLUOROPHENOL FOR SYNTHESIS Pentafluorophenol SynonyMs 2,3,4,5,6-Pentafluorophenol |
| CAS | 771-61-9 |
| EINECS | 212-235-8 |
| InChI | InChI=1/C6HF5O.K/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1 |
| InChIKey | XBNGYFFABRKICK-UHFFFAOYSA-N |
pentafluorophenol - Physico-chemical Properties
| Molecular Formula | C6HF5O |
| Molar Mass | 184.06 |
| Density | 1.757 |
| Melting Point | 34-36 °C (lit.) |
| Boling Point | 143 °C (lit.) |
| Flash Point | 162°F |
| Water Solubility | soluble |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 3.69mmHg at 25°C |
| Appearance | Low Melting Crystalline Solid |
| Specific Gravity | 1.757 |
| Color | White to almost white |
| BRN | 1912584 |
| pKa | 5.50±0.33(Predicted) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong oxidizing agents, bases, acid chlorides, acid anhydrides. |
| Refractive Index | 1.4270 |
pentafluorophenol - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R34 - Causes burns R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R63 - Possible risk of harm to the unborn child R43 - May cause sensitization by skin contact R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R45 - May cause cancer R67 - Vapors may cause drowsiness and dizziness R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36/37 - Wear suitable protective clothing and gloves. S24/25 - Avoid contact with skin and eyes. S23 - Do not breathe vapour. S53 - Avoid exposure - obtain special instructions before use. |
| UN IDs | 2811 |
| WGK Germany | 3 |
| RTECS | SM6680000 |
| FLUKA BRAND F CODES | 3 |
| TSCA | T |
| HS Code | 29081000 |
| Hazard Note | Toxic/Irritant |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 scu-rat: 322 mg/kg IZSBAI 3,91,65 |
pentafluorophenol - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | pentafluorophenol is a polyfluoro liquid crystal compound with small steric hindrance, which is an important intermediate for the preparation of high performance liquid crystal materials, it is especially suitable for the preparation of polyfluoro monomer liquid crystal materials. After the polyfluoro monomer liquid crystal materials are mixed with low viscosity and high dielectric anisotropy nematic liquid crystal materials, the dipole distance of molecules can be increased, reducing the response time, improving the display performance of the liquid crystal material, increasing the clarity, has an important meaning to the production of high performance liquid crystal materials. |
| Application | pentafluorophenol is an important intermediate, mainly used in the preparation of pharmaceutical, liquid crystal and polymer materials intermediates, such, in the field of medicine and pesticide, pentafluorophenol is used to prepare pentafluorophenyl active ester for peptide synthesis, thus promoting the formation of peptide, pentafluorophenyl ester can be used for solid phase synthesis of peptides, it can also be used for liquid phase synthesis, and can also be used as a protecting group for an amino acid protecting group alkyl ester or sulfonic acid group. |
| preparation method | pentafluorophenyl magnesium chloride is prepared by reacting magnesium with monochloropentafluorobenzene, which is a by-product in the preparation of hexafluorobenzene from hexachlorobenzene, the reaction temperature is 45~50°C, the reaction time is 2.5 h, the triisopropyl borate is selected as the borating agent, and the dipropyl pentafluorophenylborate is obtained. The reaction temperature is -10 ~-15°C, and the reaction time is 3 h, pentafluorophenylboronic acid was prepared by hydrolysis of pentafluorophenylboronic acid dipropyl ester under acidic conditions. Pentafluorophenylboronic acid was reacted with hydrogen peroxide to produce pentafluorophenol at 65°C, the purity of the product prepared by 5 h reaction time was 99.5%(GC) or more, and the 3-step collection rate was 60.25%. |
| Use | pentafluorophenol is used as a biodegradable polymer for the synthesis of pga membranes. It is also involved in the synthesis of macrocyclic Gd(III) chelates for cancer molecular MRI. intermediate of medicine, pesticide and liquid crystal material preparation of pentafluorophenyl ester for peptide synthesis |
Last Update：2024-04-10 22:29:15
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View History
pentafluorophenol
2-Hydroxy nicotinic acid methyl ester
Copper(I) sulfide
Ibrutinib Impurity 8
80225-53-2
methyl2-octinate
2829-42-7
Bismuthiol I
2-Hydroxy nicotinic acid methyl ester
Copper(I) sulfide
Ibrutinib Impurity 8
80225-53-2
methyl2-octinate
2829-42-7
Bismuthiol I