Introduction：Basic information about CAS 771-61-9|Pentafluorophenol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pentafluorophenol |
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| CAS Number | 771-61-9 | Molecular Weight | 184.06 |
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| Density | 1.7±0.1 g/cm3 | Boiling Point | 146.3±35.0 °C at 760 mmHg |
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| Molecular Formula | C6HF5O | Melting Point | 34-36 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 72.2±0.0 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | Pentafluorophenol |
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| Synonym | More Synonyms |
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Pentafluorophenol BiologicalActivity
| Description | Pentafluorophenol is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| 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。 |
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Chemical & Physical Properties
| Density | 1.7±0.1 g/cm3 |
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| Boiling Point | 146.3±35.0 °C at 760 mmHg |
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| Melting Point | 34-36 °C(lit.) |
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| Molecular Formula | C6HF5O |
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| Molecular Weight | 184.06 |
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| Flash Point | 72.2±0.0 °C |
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| Exact Mass | 183.994751 |
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| PSA | 20.23000 |
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| LogP | 3.05 |
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| Vapour Pressure | 3.7±0.3 mmHg at 25°C |
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| Index of Refraction | 1.429 |
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| InChIKey | XBNGYFFABRKICK-UHFFFAOYSA-N |
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| SMILES | Oc1c(F)c(F)c(F)c(F)c1F |
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| Storage condition | Store in dark! |
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| Stability | Stable. Incompatible with strong oxidizing agents, bases, acid chlorides, acid anhydrides. |
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| Water Solubility | soluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SM6680000
- CHEMICAL NAME :
- Phenol, pentafluoro-
- CAS REGISTRY NUMBER :
- 771-61-9
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C6-H-F5-O
- MOLECULAR WEIGHT :
- 184.07
- WISWESSER LINE NOTATION :
- QR BF CF DF EF FF
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 322 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- IZSBAI Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Biologomeditsinskikh Nauk. (Novosibirsk, USSR) No.1-3, 1963-68. For publisher information, see ISBNBN. Volume(issue)/page/year: 3,91,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 283 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- IZSBAI Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Biologomeditsinskikh Nauk. (Novosibirsk, USSR) No.1-3, 1963-68. For publisher information, see ISBNBN. Volume(issue)/page/year: 3,91,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 330 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(10),16,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 1120 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(10),16,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4108 No. of Facilities: 23 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 90 (estimated) No. of Female Employees: 68 (estimated)
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Target Organs | Blood, Central nervous system, Liver |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | C:Corrosive;Xi:Irritant; |
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| Risk Phrases | R20/21/22;R34;R36/37/38 |
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| Safety Phrases | S26-S36-S45-S36/37/39-S36/37-S24/25-S23-S53 |
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| RIDADR | 2811 |
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| WGK Germany | 3 |
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| RTECS | SM6680000 |
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| Packaging Group | III |
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| Hazard Class | 8 |
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| HS Code | 29081000 |
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Customs
| HS Code | 2908199090 |
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| 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% |
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Synonyms
| 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 |
| Phenol, pentafluoro- |
| PFP |
| Phenol, 2,3,4,5,6-pentafluoro- |
| 2,3,4,5,6-pentafluoro-phenol |
| MFCD00002156 |
| Sofosbuvir Impurity 29 |
