4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde structure
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Common Name | 4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde | ||
|---|---|---|---|---|
| CAS Number | 141103-93-7 | Molecular Weight | 177.20000 | |
| Density | 1.181g/cm3 | Boiling Point | 336.5ºC at 760mmHg | |
| Molecular Formula | C10H11NO2 | Melting Point | 53ºC | |
| MSDS | USA | Flash Point | 157.3ºC | |
Summary: 4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carbaldehyde, Chinese name: 4-甲基-3,4-二氢-2H-1,4-苯并噁嗪-7-甲醛, CAS number: 141103-93-7, molecular formula: C10H11NO2. 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 | 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde |
|---|---|
| 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 | 1.181g/cm3 |
|---|---|
| Boiling Point | 336.5ºC at 760mmHg |
| Melting Point | 53ºC |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.20000 |
| Flash Point | 157.3ºC |
| Exact Mass | 177.07900 |
| PSA | 29.54000 |
| LogP | 1.39270 |
| Vapour Pressure | 0.000112mmHg at 25°C |
| Index of Refraction | 1.587 |
| InChIKey | WJHBKMPLXRGBGM-UHFFFAOYSA-N |
| SMILES | CN1CCOc2cc(C=O)ccc21 |
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: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 141103-93-7: 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: pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 53 - 55 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: C10H11NO2 Molecular Weight: 177.2 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 141103-93-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 141103-93-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 141103-93-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 141103-93-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
4-Methyl-3,4-di... CAS#:141103-93-7 |
| Literature: MERCK SHARP and DOHME CORP.; KOZLOWSKI, Joseph A.; ROSENBLUM, Stuart B.; COBURN, Craig A.; SHANKAR, Bandarpalle, B.; ANILKUMAR, G., Nair; CHEN, Lei; DWYER, Michael, P.; JIANG, Yueheng; KEERTIKAR, Kartik, M.; LAVEY, Brian, J.; SELYUTIN, Oleg, B.; TONG, Ling; WONG, Michael; YANG, De-Yi; YU, Wensheng; ZHOU, Guowei; WU, Hao; HU, Bin; ZHONG, Bin; SUN, Fei; JI, Tao; SHEN, Changmao; RIZVI, Razia; ZENG, Qingbei Patent: WO2012/41014 A1, 2012 ; Location in patent: Page/Page column 236-237 ; |
|
~76%
4-Methyl-3,4-di... CAS#:141103-93-7 |
| Literature: Kotha, Sambasivarao; Bindra, Vandana; Kuki, Atsuo Heterocycles, 1994 , vol. 38, # 1 p. 5 - 8 |
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~%
4-Methyl-3,4-di... CAS#:141103-93-7 |
| Literature: Kotha, Sambasivarao; Kuki, Atsuo Journal of the Chemical Society, Chemical Communications, 1992 , # 5 p. 404 - 406 |
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~%
4-Methyl-3,4-di... CAS#:141103-93-7 |
| Literature: Kotha, Sambasivarao; Kuki, Atsuo Journal of the Chemical Society, Chemical Communications, 1992 , # 5 p. 404 - 406 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 2 | |
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: Inhibition of Leishmania major PTR1 at 500 uM
Source: ChEMBL
Target: Pteridine reductase 1
External Id: CHEMBL1655379
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Methyl-3,4-Dihydro-2H-1,4-Benzoxazine-7-Carbaldehyde |
| 2H-1,4-Benzoxazine-7-carboxaldehyde,3,4-dihydro-4-methyl |
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 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: Polar surface area (PSA) of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde is 29.54000. |
| Q: What is the boiling point of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: Boiling point of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde is 336.5ºC at 760mmHg. |
| Q: What are the upstream materials of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: Related upstream materials(CAS) of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde: 68-12-2;154264-95-6;77901-22-5;273-53-0;611-24-5. |
| Q: What is the CAS number of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: CAS number of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde is 141103-93-7. |
| Q: What is the English name of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: The English name of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde is 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde. |
| Q: What is the LogP of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: LogP of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde is 1.39270. |
| Q: What is the molecular formula of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: Molecular formula of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde is C10H11NO2. |
| Q: What is the InChIKey of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: InChIKey of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde is WJHBKMPLXRGBGM-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: SMILES notation of 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde is CN1CCOc2cc(C=O)ccc21. |
| Q: What is the safety information for 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde? |
| A: Safety information for 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carbaldehyde: S24/25. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |