3-Pyridinecarboxylicacid, 5-phenyl structure
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Common Name | 3-Pyridinecarboxylicacid, 5-phenyl | ||
|---|---|---|---|---|
| CAS Number | 10177-12-5 | Molecular Weight | 199.20500 | |
| Density | 1.241g/cm3 | Boiling Point | 420.1ºC at 760mmHg | |
| Molecular Formula | C12H9NO2 | Melting Point | 260ºC | |
| MSDS | Chinese USA | Flash Point | 207.8ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-Phenylnicotinic 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 | 1.241g/cm3 |
|---|---|
| Boiling Point | 420.1ºC at 760mmHg |
| Melting Point | 260ºC |
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.20500 |
| Flash Point | 207.8ºC |
| Exact Mass | 199.06300 |
| PSA | 50.19000 |
| LogP | 2.44680 |
| Vapour Pressure | 8.31E-08mmHg at 25°C |
| Index of Refraction | 1.613 |
| InChIKey | VKFXHYRIHRTEIV-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cncc(-c2ccccc2)c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 10177-12-5: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 260 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C12H9NO2 Molecular Weight: 199.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Reducing agents, strong oxidizing agents, bases, amines. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 10177-12-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Phenylnicotinic acid - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 10177-12-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 10177-12-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 10177-12-5 is not listed on the TSCA inventory. It is for research and development use only. 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; |
|---|---|
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~69%
3-Pyridinecarbo... CAS#:10177-12-5 |
| Literature: Carter, Percy H.; Cherney, Robert J.; Batt, Douglas G.; Brown, Gregory D.; Duncia, John V.; Gardner, Daniel S.; Yang, Michael G. Patent: US2005/54626 A1, 2005 ; Location in patent: Page/Page column 43 ; US 20050054626 A1 |
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~79%
3-Pyridinecarbo... CAS#:10177-12-5 |
| Literature: Jain, Pooja; Slama, James T.; Perez-Haddock, Leroy A.; Walseth, Timothy F. Journal of Medicinal Chemistry, 2010 , vol. 53, # 21 p. 7599 - 7612 |
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~%
3-Pyridinecarbo... CAS#:10177-12-5 |
| Literature: Journal of the American Chemical Society, , vol. 78, p. 3477,3481 |
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~%
3-Pyridinecarbo... CAS#:10177-12-5 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 17 p. 5498 - 5502 |
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~%
3-Pyridinecarbo... CAS#:10177-12-5 |
| Literature: Tetrahedron Letters, , vol. 39, # 24 p. 4175 - 4178 |
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~%
3-Pyridinecarbo... CAS#:10177-12-5 |
| Literature: Journal of the American Chemical Society, , vol. 78, p. 3477,3481 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
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| DownStream 0 | |
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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-phenylpyridine-3-carboxylic 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 5-Phenylnicotinic acid? |
| A: CAS number of 5-Phenylnicotinic acid is 10177-12-5. |
| Q: What is the InChIKey of 5-Phenylnicotinic acid? |
| A: InChIKey of 5-Phenylnicotinic acid is VKFXHYRIHRTEIV-UHFFFAOYSA-N. |
| Q: What English synonyms does 5-Phenylnicotinic acid have? |
| A: English synonyms of 5-Phenylnicotinic acid: 5-phenylpyridine-3-carboxylic acid. |
| Q: What is the molecular formula of 5-Phenylnicotinic acid? |
| A: Molecular formula of 5-Phenylnicotinic acid is C12H9NO2. |
| Q: What is the melting point of 5-Phenylnicotinic acid? |
| A: Melting point of 5-Phenylnicotinic acid is 260ºC. |
| Q: What is the polar surface area (PSA) of 5-Phenylnicotinic acid? |
| A: Polar surface area (PSA) of 5-Phenylnicotinic acid is 50.19000. |
| Q: What is the molecular weight of 5-Phenylnicotinic acid? |
| A: Molecular weight of 5-Phenylnicotinic acid is 199.20500. |
| Q: What are the upstream materials of 5-Phenylnicotinic acid? |
| A: Related upstream materials(CAS) of 5-Phenylnicotinic acid: 20826-04-4;98-80-6;10477-94-8;122-78-1;960-16-7. |
| Q: What is the English name of 5-Phenylnicotinic acid? |
| A: The English name of 5-Phenylnicotinic acid is 5-Phenylnicotinic acid. |
| Q: What is the boiling point of 5-Phenylnicotinic acid? |
| A: Boiling point of 5-Phenylnicotinic acid is 420.1ºC at 760mmHg. |
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. |