2-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline structure
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Common Name | 2-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline | ||
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| CAS Number | 2405-01-8 | Molecular Weight | 186.25300 | |
| Density | 1.06g/cm3 | Boiling Point | 335.6ºC at 760mmHg | |
| Molecular Formula | C12H14N2 | Melting Point | 79-81ºC | |
| MSDS | N/A | Flash Point | 156.8ºC | |
| Name | 2-(2,5-Dimethyl-1H-pyrrol-1-yl)phenylamine |
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| Synonym | More Synonyms |
| Density | 1.06g/cm3 |
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| Boiling Point | 335.6ºC at 760mmHg |
| Melting Point | 79-81ºC |
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.25300 |
| Flash Point | 156.8ºC |
| Exact Mass | 186.11600 |
| PSA | 30.95000 |
| LogP | 3.25750 |
| Vapour Pressure | 0.000118mmHg at 25°C |
| Index of Refraction | 1.581 |
| InChIKey | ZCCGWYQXOIOJRO-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C)n1-c1ccccc1N |
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: 2-(2,5-Dimethylpyrrol-1-yl)aniline Synonyms:N-(2-Aminophenyl)-2,5-dimethylpyrrole Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:2-(2,5-Dimethylpyrrol-1-yl)aniline CAS number:2405-01-8 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, refrigerated. 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:C12H14N2 Molecular weight:186.3 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 |
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | 22-41 |
| Safety Phrases | 26-39 |
| HS Code | 2933990090 |
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~80%
2-(2,5-Dimethyl... CAS#:2405-01-8 |
| Literature: Chen, Jiuxi; Wu, Huayue; Zheng, Zhiguo; Jin, Can; Zhang, Xingxian; Su, Weike Tetrahedron Letters, 2006 , vol. 47, # 30 p. 5383 - 5387 |
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~%
2-(2,5-Dimethyl... CAS#:2405-01-8 |
| Literature: Bishop Journal of the American Chemical Society, 1945 , vol. 67, p. 2261 |
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~%
2-(2,5-Dimethyl... CAS#:2405-01-8 |
| Literature: Bishop Journal of the American Chemical Society, 1945 , vol. 67, p. 2261 |
| Precursor 4 | |
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| DownStream 0 | |
| HS Code | 2933990090 |
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| 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% |
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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: 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: Primary cell-based high-throughput screening for identification of compounds that all...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_AlloAgonist_Primary
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Name: Primary cell-based high-throughput screening for identification of compounds that ant...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_Antagonist_Primary
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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: uHTS identification of small molecule inhibitors of tim10-1 yeast via a luminescent a...
Source: Burnham Center for Chemical Genomics
Target: TPA: Essential protein of the mitochondrial intermembrane space, forms a complex with Tim9p (TIM10 complex) that delivers hydrophobic proteins to the TIM22 complex for insertion into the inner membrane [Saccharomyces cerevisiae S288c]
External Id: SBCCG-A413-tim10-1-Primary-Antagonist-Assay
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Name: 384-well Z-Lyte format Hck-Nef inhibitor HTS run at the PMLSC
Source: University of Pittsburgh Molecular Library Screening Center
Target: N/A
External Id: MH083223 Targeting HIV-1 Nef with Small Molecules
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Name: uHTS identification of APOBEC3A DNA Deaminase Inhibitors via a fluorescence-based sin...
Source: Burnham Center for Chemical Genomics
Target: probable DNA dC->dU-editing enzyme APOBEC-3A [Homo sapiens]
External Id: SBCCG-A539-APOBEC3A-Inhibitor-Primary-Assay
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Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
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Name: uHTS HTRF assay for identification of inhibitors of SUMOylation
Source: Burnham Center for Chemical Genomics
Target: SUMO1 activating enzyme subunit 1 [Homo sapiens]
External Id: BCCG-A235-SUMO-HTRF-Assay
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| 2-(2,5-dimethylpyrrol-1-yl)aniline |