2-(4-Carboxybenzoyl)benzoic acid
2-(4-Carboxybenzoyl)benzoic acid structure
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Common Name | 2-(4-Carboxybenzoyl)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 85-58-5 | Molecular Weight | 270.237 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 556.6±35.0 °C at 760 mmHg | |
| Molecular Formula | C15H10O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 304.5±22.4 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Benzophenone-2,4'-dicarboxylic Acid Monohydrate |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 556.6±35.0 °C at 760 mmHg |
| Molecular Formula | C15H10O5 |
| Molecular Weight | 270.237 |
| Flash Point | 304.5±22.4 °C |
| Exact Mass | 270.052826 |
| PSA | 91.67000 |
| LogP | 2.41 |
| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
| Index of Refraction | 1.646 |
| InChIKey | RWHRIIMYBNGFEV-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(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 | 26-36/37/39 |
| HS Code | 2918300090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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2-(4-Carboxyben... CAS#:85-58-5 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 309, p. 120 DE80407 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 4, p. 335 |
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2-(4-Carboxyben... CAS#:85-58-5 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 468, p. 288 |
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2-(4-Carboxyben... CAS#:85-58-5 |
| Literature: Chemische Berichte, , vol. 101, p. 2660 - 2664 |
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2-(4-Carboxyben... CAS#:85-58-5 |
| Literature: US2806059 , ; |
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2-(4-Carboxyben... CAS#:85-58-5 |
| Literature: Chemische Berichte, , vol. 62, p. 944 |
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2-(4-Carboxyben... CAS#:85-58-5 |
| Literature: Chemische Berichte, , vol. 62, p. 944 |
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2-(4-Carboxyben... CAS#:85-58-5 |
| Literature: Chemische Berichte, , vol. 62, p. 944 |
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2-(4-Carboxyben... CAS#:85-58-5 |
| Literature: Industrial and Engineering Chemistry, , vol. 22, p. 620,622 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 4 | |
CAS#:117-78-2
CAS#:100-21-0
CAS#:65-85-0![2-[(4-carboxyphenyl)methyl]benzoic acid structure](https://image.chemsrc.com/caspic/488/6268-08-2.png)
CAS#:6268-08-2This 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: Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain usin...
Source: ChEMBL
Target: Botulinum neurotoxin type E
External Id: CHEMBL3830808
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Name: Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed i...
Source: ChEMBL
Target: M-phase inducer phosphatase 2
External Id: CHEMBL2061427
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Name: Dissociation constant for HCV NS3 protease substrate binding site; binds to additiona...
Source: ChEMBL
Target: Genome polyprotein
External Id: CHEMBL751819
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD04038016 |
| 2-(4-Carboxybenzoyl)benzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: Safety information for Benzophenone-2,4'-dicarboxylic Acid Monohydrate: 26-36/37/39. |
| Q: What is the boiling point of Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: Boiling point of Benzophenone-2,4'-dicarboxylic Acid Monohydrate is 556.6±35.0 °C at 760 mmHg. |
| Q: What is the LogP of Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: LogP of Benzophenone-2,4'-dicarboxylic Acid Monohydrate is 2.41. |
| Q: What is the SMILES notation of Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: SMILES notation of Benzophenone-2,4'-dicarboxylic Acid Monohydrate is O=C(O)c1ccc(C(=O)c2ccccc2C(=O)O)cc1. |
| Q: What are the upstream materials of Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: Related upstream materials(CAS) of Benzophenone-2,4'-dicarboxylic Acid Monohydrate: 85-55-2;82101-39-1;1140-16-5;65414-25-7;932-31-0;100-20-9;42797-18-2;64-19-7. |
| Q: What is the polar surface area (PSA) of Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: Polar surface area (PSA) of Benzophenone-2,4'-dicarboxylic Acid Monohydrate is 91.67000. |
| Q: What is the InChIKey of Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: InChIKey of Benzophenone-2,4'-dicarboxylic Acid Monohydrate is RWHRIIMYBNGFEV-UHFFFAOYSA-N. |
| Q: What is the English name of Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: The English name of Benzophenone-2,4'-dicarboxylic Acid Monohydrate is Benzophenone-2,4'-dicarboxylic Acid Monohydrate. |
| Q: What is the CAS number of Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: CAS number of Benzophenone-2,4'-dicarboxylic Acid Monohydrate is 85-58-5. |
| Q: What is the molecular weight of Benzophenone-2,4'-dicarboxylic Acid Monohydrate? |
| A: Molecular weight of Benzophenone-2,4'-dicarboxylic Acid Monohydrate is 270.237. |
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. |