(Pentafluorophenyl)acetic acid
(Pentafluorophenyl)acetic acid structure
|
Common Name | (Pentafluorophenyl)acetic acid | ||
|---|---|---|---|---|
| CAS Number | 653-21-4 | Molecular Weight | 226.100 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 235.3±35.0 °C at 760 mmHg | |
| Molecular Formula | C8H3F5O2 | Melting Point | 108-110 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 96.1±25.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,3,4,5,6-pentafluorophenylacetic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 235.3±35.0 °C at 760 mmHg |
| Melting Point | 108-110 °C(lit.) |
| Molecular Formula | C8H3F5O2 |
| Molecular Weight | 226.100 |
| Flash Point | 96.1±25.9 °C |
| Exact Mass | 226.005325 |
| PSA | 37.30000 |
| LogP | 1.69 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.454 |
| InChIKey | LGCODSNZJOVMHV-UHFFFAOYSA-N |
| SMILES | O=C(O)Cc1c(F)c(F)c(F)c(F)c1F |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2916399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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| Literature: Journal of the Chemical Society, , p. 3719 - 3727 |
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| Literature: Journal of the Chemical Society, , p. 808 - 817 |
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| Literature: Journal of the Chemical Society, , p. 808 - 817 |
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| Literature: Journal of the Chemical Society, , p. 808 - 817 |
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| Literature: Journal of the Chemical Society, , p. 808 - 817 |
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| Literature: Journal of the Chemical Society, , p. 808 - 817 |
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| Literature: Journal of the Chemical Society, , p. 808 - 817 |
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| Literature: Journal of the Chemical Society, , p. 808 - 817 |
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| Literature: Journal of the Chemical Society, , p. 3719 - 3727 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 4 | |
CAS#:653-31-6
CAS#:653-20-3
CAS#:832-72-4![1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene structure](https://image.chemsrc.com/caspic/362/853-74-7.png)
CAS#:853-74-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Synthesis and Biological Evaluation of Fluorinated 3-Phenylcoumarin-7-O-Sulfamate Derivatives as Steroid Sulfatase Inhibitors.
Chem. Biol. Drug Des. 87 , 233-8, (2016) In the present work, we report the initial results of our study on a series of 3-phenylcoumarin sulfamate-based compounds containing C-F bonds as novel inhibitors of steroid sulfatase. The new compoun... |
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Aromatic polyfluoro-compounds. Part VIII. Pentafluorobenzaldehyde and related pentafluorophenyl ketones and carboxylic acids. Barbour AK, et al.
J. Chem. Soc. , 808-17, (1961)
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Synthetic receptors as models for alkali metal cation-pi binding sites in proteins.
Proc. Natl. Acad. Sci. U. S. A. 97(12) , 6271-6, (2000) The alkali metal cations Na(+) and K(+) have several important physiological roles, including modulating enzyme activity. Recent work has suggested that alkali metal cations may be coordinated by pi s... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 211-497-0 |
| 2-(2,3,4,5,6-pentafluorophenyl)acetic acid |
| MFCD00004316 |
| (Pentafluorophenyl)acetic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2,3,4,5,6-pentafluorophenylacetic acid? |
| A: InChIKey of 2,3,4,5,6-pentafluorophenylacetic acid is LGCODSNZJOVMHV-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 2,3,4,5,6-pentafluorophenylacetic acid? |
| A: SMILES notation of 2,3,4,5,6-pentafluorophenylacetic acid is O=C(O)Cc1c(F)c(F)c(F)c(F)c1F. |
| Q: What is the CAS number of 2,3,4,5,6-pentafluorophenylacetic acid? |
| A: CAS number of 2,3,4,5,6-pentafluorophenylacetic acid is 653-21-4. |
| Q: What is the melting point of 2,3,4,5,6-pentafluorophenylacetic acid? |
| A: Melting point of 2,3,4,5,6-pentafluorophenylacetic acid is 108-110 °C(lit.). |
| Q: What English synonyms does 2,3,4,5,6-pentafluorophenylacetic acid have? |
| A: English synonyms of 2,3,4,5,6-pentafluorophenylacetic acid: EINECS 211-497-0, 2-(2,3,4,5,6-pentafluorophenyl)acetic acid, MFCD00004316, (Pentafluorophenyl)acetic acid. |
| Q: What are the upstream materials of 2,3,4,5,6-pentafluorophenylacetic acid? |
| A: Related upstream materials(CAS) of 2,3,4,5,6-pentafluorophenylacetic acid: 771-56-2;344-04-7;653-37-2;827-15-6;440-60-8;653-35-0;1765-40-8;653-30-5;124-38-9. |
| Q: What are the downstream products of 2,3,4,5,6-pentafluorophenylacetic acid? |
| A: Related downstream products(CAS) of 2,3,4,5,6-pentafluorophenylacetic acid: 653-31-6;653-20-3;832-72-4;853-74-7. |
| Q: What is the safety information for 2,3,4,5,6-pentafluorophenylacetic acid? |
| A: Safety information for 2,3,4,5,6-pentafluorophenylacetic acid: S26-S36. |
| Q: What is the English name of 2,3,4,5,6-pentafluorophenylacetic acid? |
| A: The English name of 2,3,4,5,6-pentafluorophenylacetic acid is 2,3,4,5,6-pentafluorophenylacetic acid. |
| Q: What is the molecular formula of 2,3,4,5,6-pentafluorophenylacetic acid? |
| A: Molecular formula of 2,3,4,5,6-pentafluorophenylacetic acid is C8H3F5O2. |
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. |