2,5,6-Trimethyl-1H-benzimidazole structure
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Common Name | 2,5,6-Trimethyl-1H-benzimidazole | ||
|---|---|---|---|---|
| CAS Number | 3363-56-2 | Molecular Weight | 160.216 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 367.5±11.0 °C at 760 mmHg | |
| Molecular Formula | C10H12N2 | Melting Point | 239-240 °C(lit.) | |
| MSDS | N/A | Flash Point | 194.8±5.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,5,6-trimethyl-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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 367.5±11.0 °C at 760 mmHg |
| Melting Point | 239-240 °C(lit.) |
| Molecular Formula | C10H12N2 |
| Molecular Weight | 160.216 |
| Flash Point | 194.8±5.7 °C |
| Exact Mass | 160.100052 |
| PSA | 28.68000 |
| LogP | 2.49 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.628 |
| InChIKey | AFNRMRFWCAJQGP-UHFFFAOYSA-N |
| SMILES | Cc1nc2cc(C)c(C)cc2[nH]1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Version 1.2
Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name2,5,6-TRIMETHYLBENZIMIDAZOLE, 96% 2 - Hazards Identification 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number 2,5,6-TRIMETHYLBENZIMIDAZOLE, 97% 3363-56-2 222-130-9 None FormulaC10H12N2 Molecular Weight 160,2200 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen. AFTER SKIN CONTACT In case of contact, immediately wash skin with soap and copious amounts of water. AFTER EYE CONTACT In case of contact, immediately flush eyes with copious amounts of water for at least 15 minutes. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. ALDRICHwww.molbase.com SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear respirator, chemical safety goggles, rubber boots, and heavy rubber gloves. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage HANDLING Directions for Safe Handling: Avoid inhalation. Avoid contact with eyes, skin, and clothing. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep tightly closed. Store in a cool dry place. 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Safety shower and eye bath. Mechanical exhaust required. GENERAL HYGIENE MEASURES Wash thoroughly after handling. Wash contaminated clothing before reuse. PERSONAL PROTECTIVE EQUIPMENT Respiratory Protection: Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Respiratory protection is not required. Where protection is desired, use multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges. Hand Protection: Compatible chemical-resistant gloves. Eye Protection: Chemical safety goggles. 9 - Physical and Chemical Properties pH N/A BP/BP RangeN/A MP/MP Range239,000. - 240,000 ° C. Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A ALDRICHwww.molbase.com Partition Coefficient N/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Materials to Avoid: Strong oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides. 11 - Toxicological Information SIGNS AND SYMPTOMS OF EXPOSURE To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. ROUTE OF EXPOSURE Skin Contact: May cause skin irritation. Eye Contact: May cause eye irritation. Multiple Routes: May be harmful by inhalation, ingestion, or skin absorption. 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information ALDRICHwww.molbase.com COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. ALDRICHwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | R20/21/22 |
| Safety Phrases | S36-S24/25 |
| WGK Germany | 3 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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: Inhibition of Aryl hydrocarbon hydroxylase in phenobarbitone-treated rats
Source: ChEMBL
Target: Cytochrome P450 1A1
External Id: CHEMBL647916
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Name: Effect on Aryl hydrocarbon hydroxylase activity in 3-methylcolanthrene-induced rat li...
Source: ChEMBL
Target: Cytochrome P450 1A1
External Id: CHEMBL649380
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Name: Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes...
Source: ChEMBL
Target: Cytochrome P450 2B1
External Id: CHEMBL644757
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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.
| 2,5,6-trimethyl benzimidazole |
| EINECS 222-130-9 |
| 2,5,6-dimethylbenzimidazole |
| MFCD00005600 |
| 2,5,6-Trimethyl-1H-benzimidazole |
| 2,5,6-trimethyl-1H-benzoimidazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2,5,6-trimethyl-1H-benzimidazole? |
| A: Molecular formula of 2,5,6-trimethyl-1H-benzimidazole is C10H12N2. |
| Q: What is the LogP of 2,5,6-trimethyl-1H-benzimidazole? |
| A: LogP of 2,5,6-trimethyl-1H-benzimidazole is 2.49. |
| Q: What is the English name of 2,5,6-trimethyl-1H-benzimidazole? |
| A: The English name of 2,5,6-trimethyl-1H-benzimidazole is 2,5,6-trimethyl-1H-benzimidazole. |
| Q: What is the SMILES notation of 2,5,6-trimethyl-1H-benzimidazole? |
| A: SMILES notation of 2,5,6-trimethyl-1H-benzimidazole is Cc1nc2cc(C)c(C)cc2[nH]1. |
| Q: What is the melting point of 2,5,6-trimethyl-1H-benzimidazole? |
| A: Melting point of 2,5,6-trimethyl-1H-benzimidazole is 239-240 °C(lit.). |
| Q: What is the polar surface area (PSA) of 2,5,6-trimethyl-1H-benzimidazole? |
| A: Polar surface area (PSA) of 2,5,6-trimethyl-1H-benzimidazole is 28.68000. |
| Q: What English synonyms does 2,5,6-trimethyl-1H-benzimidazole have? |
| A: English synonyms of 2,5,6-trimethyl-1H-benzimidazole: 2,5,6-trimethyl benzimidazole, EINECS 222-130-9, 2,5,6-dimethylbenzimidazole, MFCD00005600, 2,5,6-Trimethyl-1H-benzimidazole, 2,5,6-trimethyl-1H-benzoimidazole. |
| Q: What is the safety information for 2,5,6-trimethyl-1H-benzimidazole? |
| A: Safety information for 2,5,6-trimethyl-1H-benzimidazole: S36-S24/25. |
| Q: What is the CAS number of 2,5,6-trimethyl-1H-benzimidazole? |
| A: CAS number of 2,5,6-trimethyl-1H-benzimidazole is 3363-56-2. |
| Q: What is the molecular weight of 2,5,6-trimethyl-1H-benzimidazole? |
| A: Molecular weight of 2,5,6-trimethyl-1H-benzimidazole is 160.216. |
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. |