1-METHYL-3-(2-THIENYL)-1H-PYRAZOL-5-AMINE structure
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Common Name | 1-METHYL-3-(2-THIENYL)-1H-PYRAZOL-5-AMINE | ||
|---|---|---|---|---|
| CAS Number | 118430-78-7 | Molecular Weight | 179.24200 | |
| Density | 1.37g/cm3 | Boiling Point | 370.3ºC at 760mmHg | |
| Molecular Formula | C8H9N3S | Melting Point | 137-140ºC | |
| MSDS | USA | Flash Point | 177.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methyl-5-thiophen-2-ylpyrazol-3-amine |
|---|---|
| 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 | 1.37g/cm3 |
|---|---|
| Boiling Point | 370.3ºC at 760mmHg |
| Melting Point | 137-140ºC |
| Molecular Formula | C8H9N3S |
| Molecular Weight | 179.24200 |
| Flash Point | 177.7ºC |
| Exact Mass | 179.05200 |
| PSA | 72.08000 |
| LogP | 2.31200 |
| Vapour Pressure | 1.12E-05mmHg at 25°C |
| Index of Refraction | 1.709 |
| InChIKey | NFTITKUYTQZKIZ-UHFFFAOYSA-N |
| SMILES | Cn1nc(-c2cccs2)cc1N |
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# 118430-78-7: 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: beige Odor: characteristic odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 137 - 140 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: C8H9N3S Molecular Weight: 179 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 118430-78-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Methyl-3-(2-thienyl)-1H-pyrazol-5-amine - 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# 118430-78-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 118430-78-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 118430-78-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| Risk Phrases | 36/37/38 |
| Safety Phrases | 26-36/37/39 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~59%
1-METHYL-3-(2-T... CAS#:118430-78-7 |
| Literature: Chemical and Pharmaceutical Bulletin, , vol. 35, # 8 p. 3235 - 3252 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
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: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Experimentally measured binding affinity data (Kd) for protein-ligand complexes deriv...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-Kd for protein-ligand complexes
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Methyl-3-(2-Thienyl)-1H-Pyrazol-5-Amine |
| 1H-Pyrazol-5-amine,1-methyl-3-(2-thienyl) |
| 1-Methyl-3-(Thiophen-2-Yl)-1h-Pyrazol-5-Amine |
| 3ovn |
| 5-amino-1-methyl-3-(thien-2-yl)pyrazole |
| 1-methyl-3-(2-thienyl)pyrazole-5-ylamine |
| 5-amino-1-methyl-3-(2-thienyl)pyrazle |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: InChIKey of 2-methyl-5-thiophen-2-ylpyrazol-3-amine is NFTITKUYTQZKIZ-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: SMILES notation of 2-methyl-5-thiophen-2-ylpyrazol-3-amine is Cn1nc(-c2cccs2)cc1N. |
| Q: What is the molecular weight of 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: Molecular weight of 2-methyl-5-thiophen-2-ylpyrazol-3-amine is 179.24200. |
| Q: What is the CAS number of 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: CAS number of 2-methyl-5-thiophen-2-ylpyrazol-3-amine is 118430-78-7. |
| Q: What is the English name of 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: The English name of 2-methyl-5-thiophen-2-ylpyrazol-3-amine is 2-methyl-5-thiophen-2-ylpyrazol-3-amine. |
| Q: What is the boiling point of 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: Boiling point of 2-methyl-5-thiophen-2-ylpyrazol-3-amine is 370.3ºC at 760mmHg. |
| Q: What are the upstream materials of 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: Related upstream materials(CAS) of 2-methyl-5-thiophen-2-ylpyrazol-3-amine: 33898-90-7;60-34-4. |
| Q: What is the safety information for 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: Safety information for 2-methyl-5-thiophen-2-ylpyrazol-3-amine: 26-36/37/39. |
| Q: What is the molecular formula of 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: Molecular formula of 2-methyl-5-thiophen-2-ylpyrazol-3-amine is C8H9N3S. |
| Q: What is the LogP of 2-methyl-5-thiophen-2-ylpyrazol-3-amine? |
| A: LogP of 2-methyl-5-thiophen-2-ylpyrazol-3-amine is 2.31200. |
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. |