2-Acetylbenzoic acid
2-Acetylbenzoic acid structure
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Common Name | 2-Acetylbenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 577-56-0 | Molecular Weight | 164.158 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 319.1±25.0 °C at 760 mmHg | |
| Molecular Formula | C9H8O3 | Melting Point | 115-117 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 161.0±19.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Acetylbenzoic 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 | 319.1±25.0 °C at 760 mmHg |
| Melting Point | 115-117 °C(lit.) |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.158 |
| Flash Point | 161.0±19.7 °C |
| Exact Mass | 164.047348 |
| PSA | 54.37000 |
| LogP | 0.81 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.561 |
| InChIKey | QDAWXRKTSATEOP-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccccc1C(=O)O |
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.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 29183000 |
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#:141-82-2
CAS#:577-16-2
CAS#:1077-79-8
CAS#:72023-83-7
CAS#:3453-63-2
CAS#:72030-45-6
CAS#:610-94-6
CAS#:108-24-7
CAS#:1077-59-4
CAS#:34136-59-9
CAS#:5004-48-8![Zinc 29H,31H-tetrabenzo[b,g,l,q]porphine structure](https://image.chemsrc.com/caspic/429/14586-52-8.png)
CAS#:14586-52-8
CAS#:296770-22-4
CAS#:525-76-8
CAS#:60510-56-7
CAS#:3453-64-3
CAS#:57259-71-9This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Simultaneous quantitation of acetylsalicylic acid and clopidogrel along with their metabolites in human plasma using liquid chromatography tandem mass spectrometry.
Biomed. Chromatogr. 30 , 466-73, (2016) The interest in therapeutic drug monitoring has increased over the last few years. Inter- and intra-patient variability in pharmacokinetics, plasma concentration related toxicity and success of therap... |
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Synthesis , 43, (1977)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzoic acid,2-acetyl |
| o-Acetylbenzoic acid |
| 2-Acetylbenzoic acid |
| Acetophenone-2-carboxylic acid |
| acetylbenzoic acid |
| 1-carboxy-2-methylcarbonylbenzene |
| EINECS 209-413-2 |
| 2'-Acetophenonecarboxylic Acid |
| MFCD00002475 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 2-Acetylbenzoic acid? |
| A: Related upstream materials(CAS) of 2-Acetylbenzoic acid: 85-44-9;141-82-2;577-16-2;1077-79-8;72023-83-7;3453-63-2;72030-45-6;610-94-6;108-24-7. |
| Q: What is the English name of 2-Acetylbenzoic acid? |
| A: The English name of 2-Acetylbenzoic acid is 2-Acetylbenzoic acid. |
| Q: What is the polar surface area (PSA) of 2-Acetylbenzoic acid? |
| A: Polar surface area (PSA) of 2-Acetylbenzoic acid is 54.37000. |
| Q: What is the InChIKey of 2-Acetylbenzoic acid? |
| A: InChIKey of 2-Acetylbenzoic acid is QDAWXRKTSATEOP-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2-Acetylbenzoic acid? |
| A: Molecular weight of 2-Acetylbenzoic acid is 164.158. |
| Q: What is the CAS number of 2-Acetylbenzoic acid? |
| A: CAS number of 2-Acetylbenzoic acid is 577-56-0. |
| Q: What is the LogP of 2-Acetylbenzoic acid? |
| A: LogP of 2-Acetylbenzoic acid is 0.81. |
| Q: What is the boiling point of 2-Acetylbenzoic acid? |
| A: Boiling point of 2-Acetylbenzoic acid is 319.1±25.0 °C at 760 mmHg. |
| Q: What is the melting point of 2-Acetylbenzoic acid? |
| A: Melting point of 2-Acetylbenzoic acid is 115-117 °C(lit.). |
| Q: What is the safety information for 2-Acetylbenzoic acid? |
| A: Safety information for 2-Acetylbenzoic acid: S37/39-S26. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |