2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid
![2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid Structure](https://image.chemsrc.com/caspic/193/92437-43-9.png)
2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid structure
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Common Name | 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid | ||
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| CAS Number | 92437-43-9 | Molecular Weight | 252.26800 | |
| Density | N/A | Boiling Point | 503ºC at 760 mmHg | |
| Molecular Formula | C15H12N2O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 258ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-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.
| Boiling Point | 503ºC at 760 mmHg |
|---|---|
| Molecular Formula | C15H12N2O2 |
| Molecular Weight | 252.26800 |
| Flash Point | 258ºC |
| Exact Mass | 252.09000 |
| PSA | 55.12000 |
| LogP | 3.03210 |
| InChIKey | HLIJMHKQYSUDOJ-UHFFFAOYSA-N |
| SMILES | Cc1nc2cc(C(=O)O)ccc2n1-c1ccccc1 |
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-1-phenyl-1h-benzoimidazole-5-carboxylic acid Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:2-Methyl-1-phenyl-1h-benzoimidazole-5-carboxylic acid CAS number:92437-43-9 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:C15H12N2O2 Molecular weight:252.3 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 |
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| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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| Literature: Sumitomo Chemical Company, Limited Patent: EP2436683 A1, 2012 ; Location in patent: Page/Page column 44 ; |
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| Literature: EP2436683 A1, ; |
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| Literature: EP2436683 A1, ; |
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| Literature: EP2436683 A1, ; |
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: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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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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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-methyl-1-phenylbenzimidazole-5-carboxylic acid |
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 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid? |
| A: CAS number of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid is 92437-43-9. |
| Q: What is the boiling point of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid? |
| A: Boiling point of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid is 503ºC at 760 mmHg. |
| Q: What is the molecular weight of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid? |
| A: Molecular weight of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid is 252.26800. |
| Q: What is the polar surface area (PSA) of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid? |
| A: Polar surface area (PSA) of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid is 55.12000. |
| Q: What English synonyms does 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid have? |
| A: English synonyms of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid: 2-methyl-1-phenylbenzimidazole-5-carboxylic acid. |
| Q: What is the molecular formula of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid? |
| A: Molecular formula of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid is C15H12N2O2. |
| Q: What is the InChIKey of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid? |
| A: InChIKey of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid is HLIJMHKQYSUDOJ-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid? |
| A: LogP of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid is 3.03210. |
| Q: What is the English name of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid? |
| A: The English name of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid is 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid. |
| Q: What is the SMILES notation of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid? |
| A: SMILES notation of 2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1-c1ccccc1. |
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. |