4-Pyridin-3-yl-benzoic acid
4-Pyridin-3-yl-benzoic acid structure
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Common Name | 4-Pyridin-3-yl-benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 4385-75-5 | Molecular Weight | 199.205 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 398.8±25.0 °C at 760 mmHg | |
| Molecular Formula | C12H9NO2 | Melting Point | 271-274 | |
| MSDS | N/A | Flash Point | 195.0±23.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-pyridin-3-ylbenzoic 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 | 398.8±25.0 °C at 760 mmHg |
| Melting Point | 271-274 |
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.205 |
| Flash Point | 195.0±23.2 °C |
| Exact Mass | 199.063324 |
| PSA | 50.19000 |
| LogP | 2.43 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.613 |
| InChIKey | GYUKEVKPDRXPAB-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(-c2cccnc2)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: 4-(3-Pyridyl)benzoic acid Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:4-(3-Pyridyl)benzoic acid CAS number:4385-75-5 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C12H9NO2 Molecular weight:199.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi: Irritant; |
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| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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4-Pyridin-3-yl-... CAS#:4385-75-5 |
| Literature: LEAD THERAPEUTICS, INC. Patent: US2009/197863 A1, 2009 ; Location in patent: Page/Page column 73-74 ; |
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4-Pyridin-3-yl-... CAS#:4385-75-5 |
| Literature: Beavers, Lisa Selsam; Finley, Don Richard; Finn, Terry Patrick; Gadski, Robert Alan; Hipskind, Philip Arthur; Hornback, Wiliam Joseph; Jesudason, Cynthia Darshini; Pickard, Richard Todd; Takakuwa, Takako; Vaught, Grant Mathews Patent: US2010/48580 A1, 2010 ; Location in patent: Page/Page column 14; 15 ; US 20100048580 A1 |
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~73%
4-Pyridin-3-yl-... CAS#:4385-75-5 |
| Literature: Halazy, Serge; Quattropani, Anna; Scheer, Alexander; Schwarz, Mattias; Thomas, Russell; Baxter, Antony Patent: US2003/212012 A1, 2003 ; |
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~77%
4-Pyridin-3-yl-... CAS#:4385-75-5 |
| Literature: Halazy, Serge; Quattropani, Anna; Bombrun, Agnes; Schwarz, Mattias; Thomas, Russel; Baxter, Anthony Patent: US2003/171309 A1, 2003 ; |
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4-Pyridin-3-yl-... CAS#:4385-75-5 |
| Literature: Park, Hyeung-Geun; Choi, Ji-Yeon; Kim, Mi-Hyun; Choi, Sea-Hoon; Park, Mi-Kyung; Lee, Jihye; Suh, Young-Ger; Cho, Hawon; Oh, Uhtaek; Kim, Hee-Doo; Joo, Yung Hyup; Shin, Song Seok; Kim, Jin Kwan; Jeong, Yeon Su; Koh, Hyun-Ju; Park, Young-Ho; Jew, Sang-Sup Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 3 p. 631 - 634 |
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4-Pyridin-3-yl-... CAS#:4385-75-5 |
| Literature: Takeda Chemical Industries, Ltd. Patent: US6359134 B1, 2002 ; Location in patent: Referential example 13 ; US 6359134 B1 |
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4-Pyridin-3-yl-... CAS#:4385-75-5 |
| Literature: Park, Hyeung-Geun; Choi, Ji-Yeon; Kim, Mi-Hyun; Choi, Sea-Hoon; Park, Mi-Kyung; Lee, Jihye; Suh, Young-Ger; Cho, Hawon; Oh, Uhtaek; Kim, Hee-Doo; Joo, Yung Hyup; Shin, Song Seok; Kim, Jin Kwan; Jeong, Yeon Su; Koh, Hyun-Ju; Park, Young-Ho; Jew, Sang-Sup Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 3 p. 631 - 634 |
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4-Pyridin-3-yl-... CAS#:4385-75-5 |
| Literature: Guiles, Joseph W.; Johnson, Sigmond G.; Murray, William V. Journal of Organic Chemistry, 1996 , vol. 61, # 15 p. 5169 - 5171 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 1 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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.
| 4-(3-Pyridinyl)benzoic acid |
| 4-pyrid-3-ylbenzoic acid |
| MFCD03426513 |
| 3-pyridin-4-yl-benzoic acid |
| 4-(Pyridin-3-yl)benzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 4-pyridin-3-ylbenzoic acid? |
| A: CAS number of 4-pyridin-3-ylbenzoic acid is 4385-75-5. |
| Q: What is the molecular weight of 4-pyridin-3-ylbenzoic acid? |
| A: Molecular weight of 4-pyridin-3-ylbenzoic acid is 199.205. |
| Q: What is the polar surface area (PSA) of 4-pyridin-3-ylbenzoic acid? |
| A: Polar surface area (PSA) of 4-pyridin-3-ylbenzoic acid is 50.19000. |
| Q: What is the SMILES notation of 4-pyridin-3-ylbenzoic acid? |
| A: SMILES notation of 4-pyridin-3-ylbenzoic acid is O=C(O)c1ccc(-c2cccnc2)cc1. |
| Q: What are the upstream materials of 4-pyridin-3-ylbenzoic acid? |
| A: Related upstream materials(CAS) of 4-pyridin-3-ylbenzoic acid: 626-55-1;14047-29-1;90395-47-4;4423-09-0;5720-05-8;127406-55-7;4385-71-1;87199-17-5;619-58-9;89878-14-8. |
| Q: What is the English name of 4-pyridin-3-ylbenzoic acid? |
| A: The English name of 4-pyridin-3-ylbenzoic acid is 4-pyridin-3-ylbenzoic acid. |
| Q: What is the molecular formula of 4-pyridin-3-ylbenzoic acid? |
| A: Molecular formula of 4-pyridin-3-ylbenzoic acid is C12H9NO2. |
| Q: What are the downstream products of 4-pyridin-3-ylbenzoic acid? |
| A: Related downstream products(CAS) of 4-pyridin-3-ylbenzoic acid: 90395-47-4. |
| Q: What is the LogP of 4-pyridin-3-ylbenzoic acid? |
| A: LogP of 4-pyridin-3-ylbenzoic acid is 2.43. |
| Q: What English synonyms does 4-pyridin-3-ylbenzoic acid have? |
| A: English synonyms of 4-pyridin-3-ylbenzoic acid: 4-(3-Pyridinyl)benzoic acid, 4-pyrid-3-ylbenzoic acid, MFCD03426513, 3-pyridin-4-yl-benzoic acid, 4-(Pyridin-3-yl)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. |