Pentafluorophenol
Pentafluorophenol structure
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Common Name | Pentafluorophenol | ||
|---|---|---|---|---|
| CAS Number | 771-61-9 | Molecular Weight | 184.06 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 146.3±35.0 °C at 760 mmHg | |
| Molecular Formula | C6HF5O | Melting Point | 34-36 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 72.2±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of PentafluorophenolPentafluorophenol is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Pentafluorophenol |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Pentafluorophenol is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog | |
| In Vitro | Pentafluorophenol 用于制备五氟苯酯，用于多肽合成和硫化聚合物。它还用于肽偶联和杂环酸衍生物。参与制备五氟苯甲酸酯，作为胺类和氨基酸的配剂。 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 146.3±35.0 °C at 760 mmHg |
| Melting Point | 34-36 °C(lit.) |
| Molecular Formula | C6HF5O |
| Molecular Weight | 184.06 |
| Flash Point | 72.2±0.0 °C |
| Exact Mass | 183.994751 |
| PSA | 20.23000 |
| LogP | 3.05 |
| Vapour Pressure | 3.7±0.3 mmHg at 25°C |
| Index of Refraction | 1.429 |
| InChIKey | XBNGYFFABRKICK-UHFFFAOYSA-N |
| SMILES | Oc1c(F)c(F)c(F)c(F)c1F |
| Storage condition | Store in dark! |
| Stability | Stable. Incompatible with strong oxidizing agents, bases, acid chlorides, acid anhydrides. |
| Water Solubility | soluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Target Organs | Blood, Central nervous system, Liver |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | C:Corrosive;Xi:Irritant; |
| Risk Phrases | R20/21/22;R34;R36/37/38 |
| Safety Phrases | S26-S36-S45-S36/37/39-S36/37-S24/25-S23-S53 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | SM6680000 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 29081000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
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CAS#:2069-36-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2908199090 |
|---|---|
| Summary | HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Total synthesis and confirmation of the revised structures of azaspiracid-2 and azaspiracid-3.
Angew. Chem. Int. Ed. Engl. 45(16) , 2609-15, (2006)
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Atmospheric pressure chemical ionization of fluorinated phenols in atmospheric pressure chemical ionization mass spectrometry, tandem mass spectrometry, and ion mobility spectrometry.
J. Am. Soc. Mass Spectrom. 10(11) , 1157-65, (1999) Atmospheric pressure chemical ionization (APCI)-mass spectrometry (MS) for fluorinated phenols (C6H5-xFxOH Where x = 0-5) in nitrogen with Cl- as the reagent ion yielded product ions of M Cl- through ... |
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Development and validation of a RP-HPLC method for the determination of gentamicin sulfate and its related substances in a pharmaceutical cream using a short pentafluorophenyl column and a charged aerosol detector.
J. Pharm. Biomed. Anal. 51(3) , 521-31, (2010) Gentamicin sulfate is a potent broad spectrum aminoglycoside antibiotic which is used as an active pharmaceutical ingredient (API) against both Gram-positive and Gram-negative bacteria. A reversed-pha... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Pentaflurophenol |
| PENTAFLUORPHENOL |
| SM6680000 [RTECS] |
| QR BF CF DF EF FF |
| HOPFP |
| PERFLUOROPHENOL |
| 2,3,4,5,6-Pentafluorophenol |
| pentafluoro-pheno |
| PFP-OH |
| Pentafluorophenol |
| pentafluoro-phenol |
| C6F5OH |
| EINECS 212-235-8 |
| PFP |
| 2,3,4,5,6-pentafluoro-phenol |
| MFCD00002156 |
| Sofosbuvir Impurity 29 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of Pentafluorophenol? |
| A: Polar surface area (PSA) of Pentafluorophenol is 20.23000. |
| Q: What are the storage conditions for Pentafluorophenol? |
| A: Storage conditions for Pentafluorophenol: Store in dark!. |
| Q: What is the melting point of Pentafluorophenol? |
| A: Melting point of Pentafluorophenol is 34-36 °C(lit.). |
| Q: What is the boiling point of Pentafluorophenol? |
| A: Boiling point of Pentafluorophenol is 146.3±35.0 °C at 760 mmHg. |
| Q: What is the English name of Pentafluorophenol? |
| A: The English name of Pentafluorophenol is Pentafluorophenol. |
| Q: What is the safety information for Pentafluorophenol? |
| A: Safety information for Pentafluorophenol: S26-S36-S45-S36/37/39-S36/37-S24/25-S23-S53. |
| Q: How is the water solubility of Pentafluorophenol? |
| A: Water solubility of Pentafluorophenol: soluble. |
| Q: What is the InChIKey of Pentafluorophenol? |
| A: InChIKey of Pentafluorophenol is XBNGYFFABRKICK-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of Pentafluorophenol? |
| A: SMILES notation of Pentafluorophenol is Oc1c(F)c(F)c(F)c(F)c1F. |
| Q: What are the uses of Pentafluorophenol? |
| A: Main uses of Pentafluorophenol: Pentafluorophenol is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |