3-Methyl-5-phenylisoxazole-4-carboxylic acid structure
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Common Name | 3-Methyl-5-phenylisoxazole-4-carboxylic acid | ||
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CAS Number | 17153-21-8 | Molecular Weight | 203.19400 | |
Density | 1.273g/cm3 | Boiling Point | 362.1ºC at 760mmHg | |
Molecular Formula | C11H9NO3 | Melting Point | 191ºC | |
MSDS | N/A | Flash Point | 172.8ºC |
Name | 3-Methyl-5-phenylisoxazole-4-carboxylic acid |
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Synonym | More Synonyms |
Density | 1.273g/cm3 |
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Boiling Point | 362.1ºC at 760mmHg |
Melting Point | 191ºC |
Molecular Formula | C11H9NO3 |
Molecular Weight | 203.19400 |
Flash Point | 172.8ºC |
Exact Mass | 203.05800 |
PSA | 63.33000 |
LogP | 2.34820 |
Vapour Pressure | 0mmHg at 25°C |
Index of Refraction | 1.579 |
Storage condition | 2-8°C |
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# 17153-21-8: 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: beige Odor: odorless - slight odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 191 - 194 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: C11H9NO3 Molecular Weight: 203.2 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 17153-21-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Methyl-5-phenyl-4-isoxazolecarboxylic 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# 17153-21-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 17153-21-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 17153-21-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xi:Irritant; |
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Risk Phrases | R36/37/38 |
Safety Phrases | S26-S37/39 |
HS Code | 2934999090 |
~93% 3-Methyl-5-phen... CAS#:17153-21-8 |
Literature: Cheng, Huimin; Wan, Junting; Lin, Meng-I; Liu, Yingxue; Lu, Xiaoyun; Liu, Jinsong; Xu, Yong; Chen, Jianxin; Tu, Zhengchao; Cheng, Yih-Shyun E.; Ding, Ke Journal of Medicinal Chemistry, 2012 , vol. 55, # 5 p. 2144 - 2153 |
~% 3-Methyl-5-phen... CAS#:17153-21-8 |
Literature: Gazzetta Chimica Italiana, , vol. 45 I, p. 466 |
~% 3-Methyl-5-phen... CAS#:17153-21-8 |
Literature: Chemische Berichte, , vol. 42, p. 3919 |
~% 3-Methyl-5-phen... CAS#:17153-21-8 |
Literature: Journal of the American Chemical Society, , vol. 89, p. 5461 - 5462 |
~% 3-Methyl-5-phen... CAS#:17153-21-8 |
Literature: Gazzetta Chimica Italiana, , vol. 83, p. 192,209 |
~% 3-Methyl-5-phen... CAS#:17153-21-8 |
Literature: Chemische Berichte, , vol. 42, p. 3919 |
~% 3-Methyl-5-phen... CAS#:17153-21-8 |
Literature: Journal of Organic Chemistry, , vol. 27, p. 4305 - 4309 |
Precursor 9 | |
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DownStream 4 | |
HS Code | 2934999090 |
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Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
3-Methyl-5-phenyl-4-isoxazolecarboxylic acid |
3-methyl-5-phenyl-1,2-oxazole-4-carboxylic acid |