6-methoxy-2-methyl-1H-benzimidazole structure
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Common Name | 6-methoxy-2-methyl-1H-benzimidazole | ||
|---|---|---|---|---|
| CAS Number | 4887-81-4 | Molecular Weight | 162.18800 | |
| Density | 1.198g/cm3 | Boiling Point | 375.6ºC at 760mmHg | |
| Molecular Formula | C9H10N2O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 136.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-methoxy-2-methyl-1H-benzimidazole |
|---|---|
| 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 | 1.198g/cm3 |
|---|---|
| Boiling Point | 375.6ºC at 760mmHg |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.18800 |
| Flash Point | 136.7ºC |
| Exact Mass | 162.07900 |
| PSA | 37.91000 |
| LogP | 1.87990 |
| Index of Refraction | 1.629 |
| InChIKey | KNQUHMCADKEUNP-UHFFFAOYSA-N |
| SMILES | COc1ccc2nc(C)[nH]c2c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: 2-Methyl-5-methoxybenzimidazole Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:2-Methyl-5-methoxybenzimidazole CAS number:4887-81-4 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C9H10N2O Molecular weight:162.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. 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;Xn: Harmful; |
|---|---|
| Risk Phrases | R20/21/22 |
| Safety Phrases | 36-24/25 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~58%
6-methoxy-2-met... CAS#:4887-81-4 |
| Literature: BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2012/88755 A1, 2012 ; Location in patent: Page/Page column 71 ; |
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~76%
6-methoxy-2-met... CAS#:4887-81-4 |
| Literature: Kim, Jaeho; Kim, Jihye; Lee, Hyunseung; Lee, Byung Min; Kim, Byeong Hyo Tetrahedron, 2011 , vol. 67, # 41 p. 8027 - 8033 |
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~61%
6-methoxy-2-met... CAS#:4887-81-4 |
| Literature: Mayo, Muhammad Shareef; Yu, Xiaoqiang; Zhou, Xiaoyu; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming Organic Letters, 2014 , vol. 16, # 3 p. 764 - 767 |
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~99%
6-methoxy-2-met... CAS#:4887-81-4 |
| Literature: VanVliet, David S.; Gillespie, Paul; Scicinski, Jan J. Tetrahedron Letters, 2005 , vol. 46, # 39 p. 6741 - 6743 |
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~36%
6-methoxy-2-met... CAS#:4887-81-4 |
| Literature: Selvam, Kaliyamoorthy; Annadhasan, Mari; Velmurugan, Rengasamy; Swaminathan, Meenakshisundaram Bulletin of the Chemical Society of Japan, 2010 , vol. 83, # 7 p. 831 - 837 |
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~%
6-methoxy-2-met... CAS#:4887-81-4 |
| Literature: Annadhasan; Selvam; Swaminathan Synthetic Communications, 2012 , vol. 42, # 10 p. 1500 - 1508 |
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~58%
6-methoxy-2-met... CAS#:4887-81-4 |
| Literature: Selvam, Kaliyamoorthy; Annadhasan, Mari; Velmurugan, Rengasamy; Swaminathan, Meenakshisundaram Bulletin of the Chemical Society of Japan, 2010 , vol. 83, # 7 p. 831 - 837 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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: Phenotypic growth assay for Mycobacterium tuberculosis grown for 4 days on DPPC, chol...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4649948
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Name: Phenotypic growth assay for Mycobacterium tuberculosis grown for 3 days on 7H9, gluco...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4649949
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Name: GPR151 activator identification: cell-based high-throughput counter-screen assay
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Glucose-dependent insulinotropic receptor; AltName: Full=G-protein coupled receptor 119
External Id: GPR119_PHUNTER_AG_LUMI_1536_3X%ACT CSRUN1
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Name: Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI...
Source: ChEMBL
Target: Acinetobacter baumannii
External Id: CHEMBL4296188
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Name: Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296187
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Name: GPR151 activator identification: cell-based high-throughput confirmation assay
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_3X%ACT CRUN1
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Name: Antibacterial activity against Pseudomonas aeruginosa PAO397 [PAO1 d(mexAB-oprM) d(me...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296802
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-methoxy-2-methyl-1H-1,3-benzodiazole |
| 5-METHOXY-2-METHYLBENZIMIDAZOLE |
| 2-Methyl-1H-5-methoxybenzimidazole |
| 2-Methyl-5-methoxybenzimidazole |
| 5-methoxy-2-methyl-1H-benzimidazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 6-methoxy-2-methyl-1H-benzimidazole? |
| A: Boiling point of 6-methoxy-2-methyl-1H-benzimidazole is 375.6ºC at 760mmHg. |
| Q: What is the CAS number of 6-methoxy-2-methyl-1H-benzimidazole? |
| A: CAS number of 6-methoxy-2-methyl-1H-benzimidazole is 4887-81-4. |
| Q: What is the safety information for 6-methoxy-2-methyl-1H-benzimidazole? |
| A: Safety information for 6-methoxy-2-methyl-1H-benzimidazole: 36-24/25. |
| Q: What is the molecular weight of 6-methoxy-2-methyl-1H-benzimidazole? |
| A: Molecular weight of 6-methoxy-2-methyl-1H-benzimidazole is 162.18800. |
| Q: What English synonyms does 6-methoxy-2-methyl-1H-benzimidazole have? |
| A: English synonyms of 6-methoxy-2-methyl-1H-benzimidazole: 5-methoxy-2-methyl-1H-1,3-benzodiazole, 5-METHOXY-2-METHYLBENZIMIDAZOLE, 2-Methyl-1H-5-methoxybenzimidazole, 2-Methyl-5-methoxybenzimidazole, 5-methoxy-2-methyl-1H-benzimidazole. |
| Q: What is the LogP of 6-methoxy-2-methyl-1H-benzimidazole? |
| A: LogP of 6-methoxy-2-methyl-1H-benzimidazole is 1.87990. |
| Q: What is the SMILES notation of 6-methoxy-2-methyl-1H-benzimidazole? |
| A: SMILES notation of 6-methoxy-2-methyl-1H-benzimidazole is COc1ccc2nc(C)[nH]c2c1. |
| Q: What is the InChIKey of 6-methoxy-2-methyl-1H-benzimidazole? |
| A: InChIKey of 6-methoxy-2-methyl-1H-benzimidazole is KNQUHMCADKEUNP-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 6-methoxy-2-methyl-1H-benzimidazole? |
| A: Molecular formula of 6-methoxy-2-methyl-1H-benzimidazole is C9H10N2O. |
| Q: What is the polar surface area (PSA) of 6-methoxy-2-methyl-1H-benzimidazole? |
| A: Polar surface area (PSA) of 6-methoxy-2-methyl-1H-benzimidazole is 37.91000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |