3′-Fluoro-4′-methoxyacetophenone
3′-Fluoro-4′-methoxyacetophenone structure
|
Common Name | 3′-Fluoro-4′-methoxyacetophenone | ||
|---|---|---|---|---|
| CAS Number | 455-91-4 | Molecular Weight | 168.165 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 262.9±20.0 °C at 760 mmHg | |
| Molecular Formula | C9H9FO2 | Melting Point | 92-94 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 109.4±16.7 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Fluoro-4-methoxyacetophenone |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 262.9±20.0 °C at 760 mmHg |
| Melting Point | 92-94 °C(lit.) |
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.165 |
| Flash Point | 109.4±16.7 °C |
| Exact Mass | 168.058655 |
| PSA | 26.30000 |
| LogP | 1.79 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.488 |
| InChIKey | LQASUDVYVOFKNK-UHFFFAOYSA-N |
| SMILES | COc1ccc(C(C)=O)cc1F |
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-S37/39-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2914700090 |
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 10 | |
|---|---|
| DownStream 8 | |
CAS#:350-27-6
CAS#:403-20-3
CAS#:452-11-9
CAS#:105321-49-1
CAS#:170570-77-1
CAS#:169590-41-4
CAS#:70862-63-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914700090 |
|---|---|
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% 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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Synthesis of some Fluorine-Containing Analogs and Derivatives of Medicinals. Minor JT and Vanderwerf CA.
J. Org. Chem. 17(11) , 1425-30, (1952)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
|
|
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00026219 |
| 1-(3-Fluoro-4-methoxyphenyl)-1-ethanone |
| 3'-Fluoro-4'-methoxyacetophenone |
| 3′-Fluoro-4′-methoxyacetophenone |
| 1-(3-Fluoro-4-methoxyphenyl)ethanone |
| 1-(3-fluoro-4-methoxyphenyl)ethan-1-one |
| EINECS 207-253-8 |
| 1VR CF DO1 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 3-Fluoro-4-methoxyacetophenone? |
| A: Molecular weight of 3-Fluoro-4-methoxyacetophenone is 168.165. |
| Q: What is the LogP of 3-Fluoro-4-methoxyacetophenone? |
| A: LogP of 3-Fluoro-4-methoxyacetophenone is 1.79. |
| Q: What is the molecular formula of 3-Fluoro-4-methoxyacetophenone? |
| A: Molecular formula of 3-Fluoro-4-methoxyacetophenone is C9H9FO2. |
| Q: What is the InChIKey of 3-Fluoro-4-methoxyacetophenone? |
| A: InChIKey of 3-Fluoro-4-methoxyacetophenone is LQASUDVYVOFKNK-UHFFFAOYSA-N. |
| Q: What is the safety information for 3-Fluoro-4-methoxyacetophenone? |
| A: Safety information for 3-Fluoro-4-methoxyacetophenone: S26-S37/39-S36. |
| Q: What is the English name of 3-Fluoro-4-methoxyacetophenone? |
| A: The English name of 3-Fluoro-4-methoxyacetophenone is 3-Fluoro-4-methoxyacetophenone. |
| Q: What English synonyms does 3-Fluoro-4-methoxyacetophenone have? |
| A: English synonyms of 3-Fluoro-4-methoxyacetophenone: MFCD00026219, 1-(3-Fluoro-4-methoxyphenyl)-1-ethanone, 3'-Fluoro-4'-methoxyacetophenone, 3′-Fluoro-4′-methoxyacetophenone, 1-(3-Fluoro-4-methoxyphenyl)ethanone, 1-(3-fluoro-4-methoxyphenyl)ethan-1-one, EINECS 207-253-8, 1VR CF DO1. |
| Q: What are the upstream materials of 3-Fluoro-4-methoxyacetophenone? |
| A: Related upstream materials(CAS) of 3-Fluoro-4-methoxyacetophenone: 321-28-8;75-36-5;403-14-5;77-78-1;100-06-1;108-24-7;29650-44-0;367-12-4;75-15-0;7446-70-0. |
| Q: What are the downstream products of 3-Fluoro-4-methoxyacetophenone? |
| A: Related downstream products(CAS) of 3-Fluoro-4-methoxyacetophenone: 403-14-5;350-27-6;403-20-3;452-11-9;105321-49-1;170570-77-1;169590-41-4;70862-63-4. |
| Q: What is the boiling point of 3-Fluoro-4-methoxyacetophenone? |
| A: Boiling point of 3-Fluoro-4-methoxyacetophenone is 262.9±20.0 °C at 760 mmHg. |
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. |