4-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)ANILINE structure
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Common Name | 4-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)ANILINE | ||
|---|---|---|---|---|
| CAS Number | 52708-32-4 | Molecular Weight | 187.24100 | |
| Density | 1.14g/cm3 | Boiling Point | 338.2ºC at 760mmHg | |
| Molecular Formula | C11H13N3 | Melting Point | 78ºC | |
| MSDS | N/A | Flash Point | 158.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-(3,5-dimethylpyrazol-1-yl)aniline |
|---|---|
| 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 | 1.14g/cm3 |
|---|---|
| Boiling Point | 338.2ºC at 760mmHg |
| Melting Point | 78ºC |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.24100 |
| Flash Point | 158.3ºC |
| Exact Mass | 187.11100 |
| PSA | 43.84000 |
| LogP | 2.65250 |
| Index of Refraction | 1.611 |
| InChIKey | BKLODFMZXGBJAE-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)n(-c2ccc(N)cc2)n1 |
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: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 52708-32-4: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 78 - 82 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: C11H13N3 Molecular Weight: 187.24 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, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 52708-32-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(3,5-Dimethyl-1H-pyrazol-1-yl)aniline - 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 52708-32-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 52708-32-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 52708-32-4 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 | Xi |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| HS Code | 2933199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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4-(3,5-DIMETHYL... CAS#:52708-32-4 |
| Literature: Nagarajan; Shenoy; Talwalker Indian Journal of Chemistry - Section B Organic Chemistry Including Medicinal Chemistry, 1989 , vol. 28, # 4 p. 326 - 332 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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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 | 2933199090 |
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| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. 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: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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Name: Inhibitors of CDC25B-CDK2/CyclinA interaction
Source: Center for Chemical Genomics, University of Michigan
External Id: MScreen:TargetID_600
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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.
| 4-(3,5-Dimethyl-pyrazol-1-yl)-anilin |
| 4-(3,5-dimethyl-1h-pyrazol-1-yl)anilin |
| p-Aminophenyl-1-(3,5-dimethyl)-pyrazol |
| 4-(3,5-dimethyl-pyrazol-1-yl)-aniline |
| 1-(4-aminophenyl)-3,5-dimethylpyrazole |
| 3,5-dimethyl-1-(4'-aminophenyl)-1H-pyrazole |
| p-Aminophenyl-1-dimethyl-3,5-pyrazol |
| 4-(3,5-dimethylpyrazolyl)phenylamine |
| 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 4-(3,5-dimethylpyrazol-1-yl)aniline? |
| A: Molecular weight of 4-(3,5-dimethylpyrazol-1-yl)aniline is 187.24100. |
| Q: What is the boiling point of 4-(3,5-dimethylpyrazol-1-yl)aniline? |
| A: Boiling point of 4-(3,5-dimethylpyrazol-1-yl)aniline is 338.2ºC at 760mmHg. |
| Q: What is the LogP of 4-(3,5-dimethylpyrazol-1-yl)aniline? |
| A: LogP of 4-(3,5-dimethylpyrazol-1-yl)aniline is 2.65250. |
| Q: What is the molecular formula of 4-(3,5-dimethylpyrazol-1-yl)aniline? |
| A: Molecular formula of 4-(3,5-dimethylpyrazol-1-yl)aniline is C11H13N3. |
| Q: What is the polar surface area (PSA) of 4-(3,5-dimethylpyrazol-1-yl)aniline? |
| A: Polar surface area (PSA) of 4-(3,5-dimethylpyrazol-1-yl)aniline is 43.84000. |
| Q: What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)aniline? |
| A: InChIKey of 4-(3,5-dimethylpyrazol-1-yl)aniline is BKLODFMZXGBJAE-UHFFFAOYSA-N. |
| Q: What is the safety information for 4-(3,5-dimethylpyrazol-1-yl)aniline? |
| A: Safety information for 4-(3,5-dimethylpyrazol-1-yl)aniline: S26-S37/39. |
| Q: What is the English name of 4-(3,5-dimethylpyrazol-1-yl)aniline? |
| A: The English name of 4-(3,5-dimethylpyrazol-1-yl)aniline is 4-(3,5-dimethylpyrazol-1-yl)aniline. |
| Q: What English synonyms does 4-(3,5-dimethylpyrazol-1-yl)aniline have? |
| A: English synonyms of 4-(3,5-dimethylpyrazol-1-yl)aniline: 4-(3,5-Dimethyl-pyrazol-1-yl)-anilin, 4-(3,5-dimethyl-1h-pyrazol-1-yl)anilin, p-Aminophenyl-1-(3,5-dimethyl)-pyrazol, 4-(3,5-dimethyl-pyrazol-1-yl)-aniline, 1-(4-aminophenyl)-3,5-dimethylpyrazole, 3,5-dimethyl-1-(4'-aminophenyl)-1H-pyrazole, p-Aminophenyl-1-dimethyl-3,5-pyrazol, 4-(3,5-dimethylpyrazolyl)phenylamine, 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline. |
| Q: What are the upstream materials of 4-(3,5-dimethylpyrazol-1-yl)aniline? |
| A: Related upstream materials(CAS) of 4-(3,5-dimethylpyrazol-1-yl)aniline: 13788-94-8. |
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. |