(2-acetyl-4-methylphenyl) 4-chlorobenzoate
(2-acetyl-4-methylphenyl) 4-chlorobenzoate structure
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Common Name | (2-acetyl-4-methylphenyl) 4-chlorobenzoate | ||
|---|---|---|---|---|
| CAS Number | 4010-22-4 | Molecular Weight | 288.72600 | |
| Density | 1.241g/cm3 | Boiling Point | 458.2ºC at 760mmHg | |
| Molecular Formula | C16H13ClO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 185.6ºC | |
Summary: (2-Acetyl-4-methylphenyl) 4-chlorobenzoate, Chinese name, CAS number 4010-22-4, molecular formula C16H13ClO3, molecular weight 288.72600, for research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (2-acetyl-4-methylphenyl) 4-chlorobenzoate |
|---|---|
| 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 | 1.241g/cm3 |
|---|---|
| Boiling Point | 458.2ºC at 760mmHg |
| Molecular Formula | C16H13ClO3 |
| Molecular Weight | 288.72600 |
| Flash Point | 185.6ºC |
| Exact Mass | 288.05500 |
| PSA | 43.37000 |
| LogP | 4.07020 |
| Vapour Pressure | 1.4E-08mmHg at 25°C |
| Index of Refraction | 1.582 |
| InChIKey | DEQKOXOQMBJDRS-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cc(C)ccc1OC(=O)c1ccc(Cl)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~73%
(2-acetyl-4-met... CAS#:4010-22-4 |
| Literature: Das, Jhantu; Ghosh, Somnath Tetrahedron Letters, 2011 , vol. 52, # 52 p. 7189 - 7194 |
|
~66%
(2-acetyl-4-met... CAS#:4010-22-4 |
| Literature: Rout, Saroj Kumar; Guin, Srimanta; Banerjee, Arghya; Khatun, Nilufa; Gogoi, Anupal; Patel, Bhisma K. Organic Letters, 2013 , vol. 15, # 16 p. 4106 - 4109 |
|
~%
(2-acetyl-4-met... CAS#:4010-22-4 |
| Literature: Das, Jhantu; Ghosh, Somnath Tetrahedron Letters, 2011 , vol. 52, # 52 p. 7189 - 7194 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
|
|
Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-FF
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|
Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-Ren
|
|
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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-chloro-benzoic acid |
| F3228-0166 |
| 2-acetyl-4-methylphenyl ester |
| 2-Acetyl-4-methylphenyl 4-chlorobenzoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of (2-acetyl-4-methylphenyl) 4-chlorobenzoate? |
| A: Boiling point of (2-acetyl-4-methylphenyl) 4-chlorobenzoate is 458.2ºC at 760mmHg. |
| Q: What is the molecular formula of (2-acetyl-4-methylphenyl) 4-chlorobenzoate? |
| A: Molecular formula of (2-acetyl-4-methylphenyl) 4-chlorobenzoate is C16H13ClO3. |
| Q: What is the LogP of (2-acetyl-4-methylphenyl) 4-chlorobenzoate? |
| A: LogP of (2-acetyl-4-methylphenyl) 4-chlorobenzoate is 4.07020. |
| Q: What is the CAS number of (2-acetyl-4-methylphenyl) 4-chlorobenzoate? |
| A: CAS number of (2-acetyl-4-methylphenyl) 4-chlorobenzoate is 4010-22-4. |
| Q: What English synonyms does (2-acetyl-4-methylphenyl) 4-chlorobenzoate have? |
| A: English synonyms of (2-acetyl-4-methylphenyl) 4-chlorobenzoate: 4-chloro-benzoic acid, F3228-0166, 2-acetyl-4-methylphenyl ester, 2-Acetyl-4-methylphenyl 4-chlorobenzoate. |
| Q: What is the InChIKey of (2-acetyl-4-methylphenyl) 4-chlorobenzoate? |
| A: InChIKey of (2-acetyl-4-methylphenyl) 4-chlorobenzoate is DEQKOXOQMBJDRS-UHFFFAOYSA-N. |
| Q: What is the English name of (2-acetyl-4-methylphenyl) 4-chlorobenzoate? |
| A: The English name of (2-acetyl-4-methylphenyl) 4-chlorobenzoate is (2-acetyl-4-methylphenyl) 4-chlorobenzoate. |
| Q: What is the polar surface area (PSA) of (2-acetyl-4-methylphenyl) 4-chlorobenzoate? |
| A: Polar surface area (PSA) of (2-acetyl-4-methylphenyl) 4-chlorobenzoate is 43.37000. |
| Q: What is the SMILES notation of (2-acetyl-4-methylphenyl) 4-chlorobenzoate? |
| A: SMILES notation of (2-acetyl-4-methylphenyl) 4-chlorobenzoate is CC(=O)c1cc(C)ccc1OC(=O)c1ccc(Cl)cc1. |
| Q: What is the molecular weight of (2-acetyl-4-methylphenyl) 4-chlorobenzoate? |
| A: Molecular weight of (2-acetyl-4-methylphenyl) 4-chlorobenzoate is 288.72600. |