2-(4-Methylbenzoyl)benzoic acid
2-(4-Methylbenzoyl)benzoic acid structure
|
Common Name | 2-(4-Methylbenzoyl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 85-55-2 | Molecular Weight | 240.254 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 457.1±28.0 °C at 760 mmHg | |
| Molecular Formula | C15H12O3 | Melting Point | 137-139 °C(lit.) | |
| MSDS | N/A | Flash Point | 244.4±20.5 °C | |
Summary: 2-(4-Methylbenzoyl)benzoic acid (CAS number: 85-55-2) is a chemical compound with the molecular formula C15H12O3 and molecular weight 240.254. 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-(p-Toluoyl)benzoic 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 | 457.1±28.0 °C at 760 mmHg |
| Melting Point | 137-139 °C(lit.) |
| Molecular Formula | C15H12O3 |
| Molecular Weight | 240.254 |
| Flash Point | 244.4±20.5 °C |
| Exact Mass | 240.078644 |
| PSA | 54.37000 |
| LogP | 2.77 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.607 |
| InChIKey | ICQOWIXIHDDXDI-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1 |
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.
| Hazard Codes | Xi: Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| WGK Germany | 3 |
| HS Code | 2918300090 |
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 9 | |
|---|---|
| DownStream 10 | |
CAS#:85-44-9
CAS#:108-88-3
CAS#:7163-50-0
CAS#:65-85-0
CAS#:4397-55-1
CAS#:20754-20-5![2-[4-Sulfamoyl-phenyl]-3-p-tolyl-indon Structure](https://image.chemsrc.com/caspic/174/13740-73-3.png)
CAS#:13740-73-3
CAS#:13304-46-6
CAS#:80764-40-5
CAS#:51334-85-1
CAS#:84-54-8
CAS#:28864-65-5
CAS#:85-58-5
CAS#:134-84-9
CAS#:613-12-7
CAS#:15254-27-0
CAS#:15247-71-9
CAS#:15247-73-1
CAS#:99-94-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。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: Dissociation constant for HCV NS3 protease substrate binding site
Source: ChEMBL
Target: Genome polyprotein
External Id: CHEMBL751815
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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
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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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Name: Inhibition of recombinant human AKR1C3
Source: ChEMBL
Target: Aldo-keto reductase family 1 member C3
External Id: CHEMBL869399
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 201-614-3 |
| MFCD00020287 |
| 2-(4-Methylbenzoyl)benzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-(p-Toluoyl)benzoic Acid? |
| A: Polar surface area (PSA) of 2-(p-Toluoyl)benzoic Acid is 54.37000. |
| Q: What is the SMILES notation of 2-(p-Toluoyl)benzoic Acid? |
| A: SMILES notation of 2-(p-Toluoyl)benzoic Acid is Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1. |
| Q: What is the melting point of 2-(p-Toluoyl)benzoic Acid? |
| A: Melting point of 2-(p-Toluoyl)benzoic Acid is 137-139 °C(lit.). |
| Q: What are the upstream materials of 2-(p-Toluoyl)benzoic Acid? |
| A: Related upstream materials(CAS) of 2-(p-Toluoyl)benzoic Acid: 85-44-9;108-88-3;7163-50-0;65-85-0;4397-55-1;20754-20-5;13740-73-3;13304-46-6;80764-40-5. |
| Q: What is the InChIKey of 2-(p-Toluoyl)benzoic Acid? |
| A: InChIKey of 2-(p-Toluoyl)benzoic Acid is ICQOWIXIHDDXDI-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 2-(p-Toluoyl)benzoic Acid? |
| A: Molecular formula of 2-(p-Toluoyl)benzoic Acid is C15H12O3. |
| Q: What is the molecular weight of 2-(p-Toluoyl)benzoic Acid? |
| A: Molecular weight of 2-(p-Toluoyl)benzoic Acid is 240.254. |
| Q: What is the safety information for 2-(p-Toluoyl)benzoic Acid? |
| A: Safety information for 2-(p-Toluoyl)benzoic Acid: S26-S37/39. |
| Q: What is the LogP of 2-(p-Toluoyl)benzoic Acid? |
| A: LogP of 2-(p-Toluoyl)benzoic Acid is 2.77. |
| Q: What is the English name of 2-(p-Toluoyl)benzoic Acid? |
| A: The English name of 2-(p-Toluoyl)benzoic Acid is 2-(p-Toluoyl)benzoic Acid. |
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. |
| Henan Tianfu Chemical Co., Ltd. |