Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate structure
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Common Name | Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 4402-83-9 | Molecular Weight | 286.11100 | |
| Density | 1.37 g/cm3 | Boiling Point | 382.4ºC at 760 mmHg | |
| Molecular Formula | C12H9Cl2NO3 | Melting Point | 115ºC | |
| MSDS | N/A | Flash Point | 185.1ºC | |
Summary: Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate (Chinese name: 3-(2,6-二氯苯基)-5-甲基异噁唑-4-羧酸甲酯，CAS number: 4402-83-9)，molecular formula: C12H9Cl2NO3，molecular weight: 286.11100. 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 | methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate |
|---|---|
| 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 | 1.37 g/cm3 |
|---|---|
| Boiling Point | 382.4ºC at 760 mmHg |
| Melting Point | 115ºC |
| Molecular Formula | C12H9Cl2NO3 |
| Molecular Weight | 286.11100 |
| Flash Point | 185.1ºC |
| Exact Mass | 284.99600 |
| PSA | 52.33000 |
| LogP | 3.74340 |
| Index of Refraction | 1.561 |
| InChIKey | YPCASVCAZYPZOI-UHFFFAOYSA-N |
| SMILES | COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C |
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# 4402-83-9: 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: white crystalline solid Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 115 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: C12H9Cl2NO3 Molecular Weight: 286 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Reducing agents, oxidizing agents, bases. Hazardous Decomposition Products: Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4402-83-9 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate - 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# 4402-83-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4402-83-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4402-83-9 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; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~85%
Methyl 3-(2,6-d... CAS#:4402-83-9 |
| Literature: 4SC Discovery GmbH Patent: US2012/196862 A1, 2012 ; Location in patent: Page/Page column 29 ; |
|
~%
Methyl 3-(2,6-d... CAS#:4402-83-9 |
| Literature: Ramana, P. Venkata; Reddy, A. Ram Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 3 p. 621 - 627 |
|
~%
Methyl 3-(2,6-d... CAS#:4402-83-9 |
| Literature: Ramana, P. Venkata; Reddy, A. Ram Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 3 p. 621 - 627 |
|
~%
Methyl 3-(2,6-d... CAS#:4402-83-9 |
| Literature: Hanson; Long; Nayler; Stove Journal of the Chemical Society. Perkin transactions 1, 1965 , p. 5976 - 5983 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
CAS#:3919-76-4
CAS#:4462-55-9This 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.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-<2,6-Dichlor-phenyl>-5-methyl-isoxazol-4-carbonsaeure-methylester |
| methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate |
| 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester |
| 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid methyl ester |
| 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid,methyl ester |
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 methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate? |
| A: CAS number of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 4402-83-9. |
| Q: What is the LogP of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate? |
| A: LogP of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 3.74340. |
| Q: What is the English name of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate? |
| A: The English name of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate. |
| Q: What are the upstream materials of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate? |
| A: Related upstream materials(CAS) of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate: 6579-27-7;105-45-3;25185-95-9;83-38-5. |
| Q: What is the InChIKey of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate? |
| A: InChIKey of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is YPCASVCAZYPZOI-UHFFFAOYSA-N. |
| Q: What is the molecular weight of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate? |
| A: Molecular weight of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 286.11100. |
| Q: What is the melting point of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate? |
| A: Melting point of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 115ºC. |
| Q: What is the boiling point of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate? |
| A: Boiling point of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 382.4ºC at 760 mmHg. |
| Q: What English synonyms does methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate have? |
| A: English synonyms of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate: 3--5-methyl-isoxazol-4-carbonsaeure-methylester, methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate, 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester, 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid methyl ester, 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid,methyl ester. |
| Q: What is the polar surface area (PSA) of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate? |
| A: Polar surface area (PSA) of methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is 52.33000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |