Acetic acid,2-(3-chloro-4-fluorophenoxy)
Acetic acid,2-(3-chloro-4-fluorophenoxy) structure
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Common Name | Acetic acid,2-(3-chloro-4-fluorophenoxy) | ||
|---|---|---|---|---|
| CAS Number | 331-40-8 | Molecular Weight | 204.58300 | |
| Density | 1.453g/cm3 | Boiling Point | 334ºC at 760mmHg | |
| Molecular Formula | C8H6ClFO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 155.8ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3-chloro-4-fluorophenoxy)acetic 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 | 1.453g/cm3 |
|---|---|
| Boiling Point | 334ºC at 760mmHg |
| Molecular Formula | C8H6ClFO3 |
| Molecular Weight | 204.58300 |
| Flash Point | 155.8ºC |
| Exact Mass | 203.99900 |
| PSA | 46.53000 |
| LogP | 1.94250 |
| Index of Refraction | 1.537 |
| InChIKey | JHDKSQRVPAURMA-UHFFFAOYSA-N |
| SMILES | O=C(O)COc1ccc(F)c(Cl)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| HS Code | 2918990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~80%
Acetic acid,2-(... CAS#:331-40-8 |
| Literature: Martinborough, Esther; Fanning, Lev T.D.; Sheth, Urvi; Wilson, Dean; Termin, Andreas; Neubert, Timothy; Zimmermann, Nicole; Knoll, Tara; Whitney, Tara; Kawatkar, Arati; Lehsten, Danielle; Stamos, Dean; Zhou, Jinglan; Arumugam, Vijayalaksmi; Gutierrez, Corey Patent: US2008/27067 A1, 2008 ; Location in patent: Page/Page column 263 ; |
|
~81%
Acetic acid,2-(... CAS#:331-40-8 |
| Literature: RamaRao; Venkat Reddy; Maitraie; Ravikanth; Yadla; Narsaiah; Shanthan Rao Tetrahedron, 2004 , vol. 60, # 52 p. 12231 - 12237 |
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~%
Acetic acid,2-(... CAS#:331-40-8 |
| Literature: Finger et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 94,95, 97 |
|
~%
Acetic acid,2-(... CAS#:331-40-8 |
| Literature: Finger et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 94,95, 97 |
|
~%
Acetic acid,2-(... CAS#:331-40-8 |
| Literature: RamaRao; Venkat Reddy; Maitraie; Ravikanth; Yadla; Narsaiah; Shanthan Rao Tetrahedron, 2004 , vol. 60, # 52 p. 12231 - 12237 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 1 | |
CAS#:826990-47-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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.
| 3-chloro-4-fluoro-phenoxyacetic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2-(3-chloro-4-fluorophenoxy)acetic acid have? |
| A: English synonyms of 2-(3-chloro-4-fluorophenoxy)acetic acid: 3-chloro-4-fluoro-phenoxyacetic acid. |
| Q: What are the downstream products of 2-(3-chloro-4-fluorophenoxy)acetic acid? |
| A: Related downstream products(CAS) of 2-(3-chloro-4-fluorophenoxy)acetic acid: 826990-47-0. |
| Q: What are the upstream materials of 2-(3-chloro-4-fluorophenoxy)acetic acid? |
| A: Related upstream materials(CAS) of 2-(3-chloro-4-fluorophenoxy)acetic acid: 2613-23-2;96-32-2;667437-18-5;367-21-5;79-11-8. |
| Q: What is the molecular formula of 2-(3-chloro-4-fluorophenoxy)acetic acid? |
| A: Molecular formula of 2-(3-chloro-4-fluorophenoxy)acetic acid is C8H6ClFO3. |
| Q: What is the molecular weight of 2-(3-chloro-4-fluorophenoxy)acetic acid? |
| A: Molecular weight of 2-(3-chloro-4-fluorophenoxy)acetic acid is 204.58300. |
| Q: What is the LogP of 2-(3-chloro-4-fluorophenoxy)acetic acid? |
| A: LogP of 2-(3-chloro-4-fluorophenoxy)acetic acid is 1.94250. |
| Q: What is the SMILES notation of 2-(3-chloro-4-fluorophenoxy)acetic acid? |
| A: SMILES notation of 2-(3-chloro-4-fluorophenoxy)acetic acid is O=C(O)COc1ccc(F)c(Cl)c1. |
| Q: What is the CAS number of 2-(3-chloro-4-fluorophenoxy)acetic acid? |
| A: CAS number of 2-(3-chloro-4-fluorophenoxy)acetic acid is 331-40-8. |
| Q: What is the polar surface area (PSA) of 2-(3-chloro-4-fluorophenoxy)acetic acid? |
| A: Polar surface area (PSA) of 2-(3-chloro-4-fluorophenoxy)acetic acid is 46.53000. |
| Q: What is the boiling point of 2-(3-chloro-4-fluorophenoxy)acetic acid? |
| A: Boiling point of 2-(3-chloro-4-fluorophenoxy)acetic acid is 334ºC at 760mmHg. |
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. |