5-(4-methoxyphenyl)oxazole-4-carboxylic acid structure
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Common Name | 5-(4-methoxyphenyl)oxazole-4-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 89205-07-2 | Molecular Weight | 219.19300 | |
| Density | 1.31g/cm3 | Boiling Point | 388.9ºC at 760 mmHg | |
| Molecular Formula | C11H9NO4 | Melting Point | 147ºC | |
| MSDS | N/A | Flash Point | 189ºC | |
Summary: 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid (Chinese name: 5-(4-甲氧基苯基)-1,3-恶唑-4-羧酸) is an organic compound with CAS number 89205-07-2, molecular formula C11H9NO4, and molecular weight 219.19300. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic 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 | 1.31g/cm3 |
|---|---|
| Boiling Point | 388.9ºC at 760 mmHg |
| Melting Point | 147ºC |
| Molecular Formula | C11H9NO4 |
| Molecular Weight | 219.19300 |
| Flash Point | 189ºC |
| Exact Mass | 219.05300 |
| PSA | 72.56000 |
| LogP | 2.04840 |
| Index of Refraction | 1.569 |
| InChIKey | XVXCIDWYZMBWJU-UHFFFAOYSA-N |
| SMILES | COc1ccc(-c2ocnc2C(=O)O)cc1 |
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
Hazard Symbols: XI 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# 89205-07-2: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 154 - 156 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: C11H9NO4 Molecular Weight: 219.2 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# 89205-07-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic 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# 89205-07-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 89205-07-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 89205-07-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 5/12/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. 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; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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5-(4-methoxyphe... CAS#:89205-07-2 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 5 p. 1989 - 1994 |
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5-(4-methoxyphe... CAS#:89205-07-2 |
| Literature: Chemical and Pharmaceutical Bulletin, , vol. 31, # 12 p. 4417 - 4424 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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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 | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. 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.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid? |
| A: Polar surface area (PSA) of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid is 72.56000. |
| Q: What is the melting point of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid? |
| A: Melting point of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid is 147ºC. |
| Q: What is the safety information for 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid? |
| A: Safety information for 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid: S26-S37/39. |
| Q: What is the CAS number of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid? |
| A: CAS number of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid is 89205-07-2. |
| Q: What is the LogP of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid? |
| A: LogP of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid is 2.04840. |
| Q: What is the boiling point of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid? |
| A: Boiling point of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid is 388.9ºC at 760 mmHg. |
| Q: What is the molecular weight of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid? |
| A: Molecular weight of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid is 219.19300. |
| Q: What is the InChIKey of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid? |
| A: InChIKey of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid is XVXCIDWYZMBWJU-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid? |
| A: Molecular formula of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid is C11H9NO4. |
| Q: What English synonyms does 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid have? |
| A: English synonyms of 5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid: 5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylic 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. |