4-tert-butylphenacyl chloride
4-tert-butylphenacyl chloride structure
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Common Name | 4-tert-butylphenacyl chloride | ||
|---|---|---|---|---|
| CAS Number | 21886-62-4 | Molecular Weight | 210.70000 | |
| Density | 1.058g/cm3 | Boiling Point | 142-146°C 1mm | |
| Molecular Formula | C12H15ClO | Melting Point | 36°C | |
| MSDS | N/A | Flash Point | 142-146°C/1mm | |
Use of 4-tert-butylphenacyl chloride |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(4-tert-butylphenyl)-2-chloroethanone |
|---|---|
| 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 | 1.058g/cm3 |
|---|---|
| Boiling Point | 142-146°C 1mm |
| Melting Point | 36°C |
| Molecular Formula | C12H15ClO |
| Molecular Weight | 210.70000 |
| Flash Point | 142-146°C/1mm |
| Exact Mass | 210.08100 |
| PSA | 17.07000 |
| LogP | 3.40560 |
| Vapour Pressure | 0.00112mmHg at 25°C |
| Index of Refraction | 1.534 |
| InChIKey | LTHPBRNHHJIQME-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(C(=O)CCl)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37/39 |
| HS Code | 2914700090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~93%
4-tert-butylphe... CAS#:21886-62-4 |
| Literature: Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 183, # 8 p. 2058 - 2072 |
This table records publicly available preparation methods, process key points and operation references.
This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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Name: Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu...
Source: 15621
Target: G protein-activated inward rectifier potassium channel 2
External Id: VANDERBILT_HTS_GIRK2_MPD
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-TERT-BUTYLPHENACYL CHLORIDE |
| MFCD00171621 |
| F9995-0423 |
| 2-chloro-4'-tert-butylacetophenone |
| 4′-tert-Butyl-2-chloroacetophenone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 1-(4-tert-butylphenyl)-2-chloroethanone? |
| A: The English name of 1-(4-tert-butylphenyl)-2-chloroethanone is 1-(4-tert-butylphenyl)-2-chloroethanone. |
| Q: What is the molecular formula of 1-(4-tert-butylphenyl)-2-chloroethanone? |
| A: Molecular formula of 1-(4-tert-butylphenyl)-2-chloroethanone is C12H15ClO. |
| Q: What is the InChIKey of 1-(4-tert-butylphenyl)-2-chloroethanone? |
| A: InChIKey of 1-(4-tert-butylphenyl)-2-chloroethanone is LTHPBRNHHJIQME-UHFFFAOYSA-N. |
| Q: What are the uses of 1-(4-tert-butylphenyl)-2-chloroethanone? |
| A: Main uses of 1-(4-tert-butylphenyl)-2-chloroethanone: . |
| Q: What English synonyms does 1-(4-tert-butylphenyl)-2-chloroethanone have? |
| A: English synonyms of 1-(4-tert-butylphenyl)-2-chloroethanone: 4-TERT-BUTYLPHENACYL CHLORIDE, MFCD00171621, F9995-0423, 2-chloro-4'-tert-butylacetophenone, 4′-tert-Butyl-2-chloroacetophenone. |
| Q: What is the safety information for 1-(4-tert-butylphenyl)-2-chloroethanone? |
| A: Safety information for 1-(4-tert-butylphenyl)-2-chloroethanone: S26-S36/37/39. |
| Q: What is the SMILES notation of 1-(4-tert-butylphenyl)-2-chloroethanone? |
| A: SMILES notation of 1-(4-tert-butylphenyl)-2-chloroethanone is CC(C)(C)c1ccc(C(=O)CCl)cc1. |
| Q: What is the molecular weight of 1-(4-tert-butylphenyl)-2-chloroethanone? |
| A: Molecular weight of 1-(4-tert-butylphenyl)-2-chloroethanone is 210.70000. |
| Q: What is the LogP of 1-(4-tert-butylphenyl)-2-chloroethanone? |
| A: LogP of 1-(4-tert-butylphenyl)-2-chloroethanone is 3.40560. |
| Q: What is the boiling point of 1-(4-tert-butylphenyl)-2-chloroethanone? |
| A: Boiling point of 1-(4-tert-butylphenyl)-2-chloroethanone is 142-146°C 1mm. |
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. |