3-(3-Fluorophenyl)propanoic acid
3-(3-Fluorophenyl)propanoic acid structure
|
Common Name | 3-(3-Fluorophenyl)propanoic acid | ||
|---|---|---|---|---|
| CAS Number | 458-45-7 | Molecular Weight | 168.165 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 270.6±15.0 °C at 760 mmHg | |
| Molecular Formula | C9H9FO2 | Melting Point | 43-47ºC | |
| MSDS | Chinese USA | Flash Point | 117.4±20.4 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(3-Fluorophenyl)Propionic 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 270.6±15.0 °C at 760 mmHg |
| Melting Point | 43-47ºC |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.165 |
| Flash Point | 117.4±20.4 °C |
| Exact Mass | 168.058655 |
| PSA | 37.30000 |
| LogP | 1.89 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.522 |
| InChIKey | UBLMRADOKLXLCD-UHFFFAOYSA-N |
| SMILES | O=C(O)CCc1cccc(F)c1 |
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 |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R37/38;R41 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| HS Code | 2916399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
3-(3-Fluorophen... CAS#:458-45-7 |
| Literature: Teva Pharmaceutical Industries, Ltd. Patent: US5486541 A1, 1996 ; |
|
~%
3-(3-Fluorophen... CAS#:458-45-7 |
| Literature: NOVARTIS AG; Bock, Mark Gary; Gaul, Christoph; Gummadi, Venkateshwar Rao; Moebitz, Henrik; Sengupta, Saumitra Patent: US2014/45872 A1, 2014 ; |
|
~56%
3-(3-Fluorophen... CAS#:458-45-7 |
| Literature: Kawasaki, Masashi; Goto, Michimasa; Kawabata, Shigeki; Kometani, Tadashi Tetrahedron Asymmetry, 2001 , vol. 12, # 4 p. 585 - 596 |
|
~%
3-(3-Fluorophen... CAS#:458-45-7 |
| Literature: Kawasaki, Masashi; Goto, Michimasa; Kawabata, Shigeki; Kometani, Tadashi Tetrahedron Asymmetry, 2001 , vol. 12, # 4 p. 585 - 596 |
|
~%
3-(3-Fluorophen... CAS#:458-45-7 |
| Literature: Kawasaki, Masashi; Goto, Michimasa; Kawabata, Shigeki; Kometani, Tadashi Tetrahedron Asymmetry, 2001 , vol. 12, # 4 p. 585 - 596 |
|
~%
3-(3-Fluorophen... CAS#:458-45-7 |
| Literature: Boiadjiev, Stefan E.; Lightner, David A. Journal of Physical Organic Chemistry, 1999 , vol. 12, # 10 p. 751 - 757 |
|
~%
3-(3-Fluorophen... CAS#:458-45-7 |
| Literature: Boiadjiev, Stefan E.; Lightner, David A. Journal of Physical Organic Chemistry, 1999 , vol. 12, # 10 p. 751 - 757 |
|
~%
3-(3-Fluorophen... CAS#:458-45-7 |
| Literature: Albrecht,R.; Schroeder,E. Justus Liebigs Annalen der Chemie, 1970 , vol. 736, p. 110 - 125 |
|
~%
3-(3-Fluorophen... CAS#:458-45-7 |
| Literature: Boiadjiev, Stefan E.; Lightner, David A. Journal of Physical Organic Chemistry, 1999 , vol. 12, # 10 p. 751 - 757 |
![Propanedioic acid,2-[(3-fluorophenyl)methyl]-, 1,3-diethyl ester structure](https://image.chemsrc.com/caspic/272/59223-73-3.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 5 | |
CAS#:404-70-6
CAS#:245070-85-3
CAS#:700-84-5
CAS#:156868-83-6
CAS#:214045-84-8This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(3-Fluorophenyl)propanoic acid |
| MFCD01310821 |
| 3-(3-Fluorophenyl)propionic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 3-(3-Fluorophenyl)Propionic Acid have? |
| A: English synonyms of 3-(3-Fluorophenyl)Propionic Acid: 3-(3-Fluorophenyl)propanoic acid, MFCD01310821, 3-(3-Fluorophenyl)propionic acid. |
| Q: What are the downstream products of 3-(3-Fluorophenyl)Propionic Acid? |
| A: Related downstream products(CAS) of 3-(3-Fluorophenyl)Propionic Acid: 404-70-6;245070-85-3;700-84-5;156868-83-6;214045-84-8. |
| Q: What is the English name of 3-(3-Fluorophenyl)Propionic Acid? |
| A: The English name of 3-(3-Fluorophenyl)Propionic Acid is 3-(3-Fluorophenyl)Propionic Acid. |
| Q: What is the polar surface area (PSA) of 3-(3-Fluorophenyl)Propionic Acid? |
| A: Polar surface area (PSA) of 3-(3-Fluorophenyl)Propionic Acid is 37.30000. |
| Q: What is the LogP of 3-(3-Fluorophenyl)Propionic Acid? |
| A: LogP of 3-(3-Fluorophenyl)Propionic Acid is 1.89. |
| Q: What is the safety information for 3-(3-Fluorophenyl)Propionic Acid? |
| A: Safety information for 3-(3-Fluorophenyl)Propionic Acid: S26-S36. |
| Q: What is the molecular formula of 3-(3-Fluorophenyl)Propionic Acid? |
| A: Molecular formula of 3-(3-Fluorophenyl)Propionic Acid is C9H9FO2. |
| Q: What is the boiling point of 3-(3-Fluorophenyl)Propionic Acid? |
| A: Boiling point of 3-(3-Fluorophenyl)Propionic Acid is 270.6±15.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 3-(3-Fluorophenyl)Propionic Acid? |
| A: InChIKey of 3-(3-Fluorophenyl)Propionic Acid is UBLMRADOKLXLCD-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3-(3-Fluorophenyl)Propionic Acid? |
| A: CAS number of 3-(3-Fluorophenyl)Propionic Acid is 458-45-7. |
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. |