3-pyrazolylacetonitrile
3-pyrazolylacetonitrile structure
|
Common Name | 3-pyrazolylacetonitrile | ||
|---|---|---|---|---|
| CAS Number | 135237-01-3 | Molecular Weight | 107.113 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 334.8±17.0 °C at 760 mmHg | |
| Molecular Formula | C5H5N3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 118.2±6.1 °C | |
Summary: 2-(1H-pyrazol-5-yl)acetonitrile (3-pyrazolylacetonitrile) is a chemical with CAS number 135237-01-3, molecular formula C5H5N3, and molecular weight 107.113. This compound is for research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(1H-pyrazol-5-yl)acetonitrile |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 334.8±17.0 °C at 760 mmHg |
| Molecular Formula | C5H5N3 |
| Molecular Weight | 107.113 |
| Flash Point | 118.2±6.1 °C |
| Exact Mass | 107.048347 |
| PSA | 52.47000 |
| LogP | -0.45 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.561 |
| InChIKey | IGBOXGVHHSLXPE-UHFFFAOYSA-N |
| SMILES | N#CCc1ccn[nH]1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
|
Material Safety Data Sheet
Section1. Identification of the substance Product Name: 2-(1H-Pyrazol-3-yl)acetonitrile Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:2-(1H-Pyrazol-3-yl)acetonitrile CAS number:135237-01-3 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:C5H5N3 Molecular weight:107.1 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.
| HS Code | 2933199090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
3-pyrazolylacet... CAS#:135237-01-3 |
| Literature: Mallams, Alan K.; Madison, Vincent; Paruch, Kamil Patent: US2007/66621 A1, 2007 ; Location in patent: Page/Page column 34 ; US 20070066621 A1 |
|
~%
3-pyrazolylacet... CAS#:135237-01-3 |
| Literature: Jones et al. Journal of the American Chemical Society, 1949 , vol. 71, p. 4000 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 2 | |
CAS#:105-20-4
CAS#:102732-63-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933199090 |
|---|---|
| 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-pyrazolylacetonitrile |
| (1H-Pyrazol-3-yl)-acetonitrile |
| 1H-Pyrazol-3-ylacetonitrile |
| 1H-Pyrazole-3-acetonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 2-(1H-pyrazol-5-yl)acetonitrile? |
| A: Related downstream products(CAS) of 2-(1H-pyrazol-5-yl)acetonitrile: 105-20-4;102732-63-8. |
| Q: What is the molecular weight of 2-(1H-pyrazol-5-yl)acetonitrile? |
| A: Molecular weight of 2-(1H-pyrazol-5-yl)acetonitrile is 107.113. |
| Q: What is the polar surface area (PSA) of 2-(1H-pyrazol-5-yl)acetonitrile? |
| A: Polar surface area (PSA) of 2-(1H-pyrazol-5-yl)acetonitrile is 52.47000. |
| Q: What is the LogP of 2-(1H-pyrazol-5-yl)acetonitrile? |
| A: LogP of 2-(1H-pyrazol-5-yl)acetonitrile is -0.45. |
| Q: What is the CAS number of 2-(1H-pyrazol-5-yl)acetonitrile? |
| A: CAS number of 2-(1H-pyrazol-5-yl)acetonitrile is 135237-01-3. |
| Q: What is the boiling point of 2-(1H-pyrazol-5-yl)acetonitrile? |
| A: Boiling point of 2-(1H-pyrazol-5-yl)acetonitrile is 334.8±17.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 2-(1H-pyrazol-5-yl)acetonitrile? |
| A: InChIKey of 2-(1H-pyrazol-5-yl)acetonitrile is IGBOXGVHHSLXPE-UHFFFAOYSA-N. |
| Q: What English synonyms does 2-(1H-pyrazol-5-yl)acetonitrile have? |
| A: English synonyms of 2-(1H-pyrazol-5-yl)acetonitrile: 3-pyrazolylacetonitrile, (1H-Pyrazol-3-yl)-acetonitrile, 1H-Pyrazol-3-ylacetonitrile, 1H-Pyrazole-3-acetonitrile. |
| Q: What is the molecular formula of 2-(1H-pyrazol-5-yl)acetonitrile? |
| A: Molecular formula of 2-(1H-pyrazol-5-yl)acetonitrile is C5H5N3. |
| Q: What are the upstream materials of 2-(1H-pyrazol-5-yl)acetonitrile? |
| A: Related upstream materials(CAS) of 2-(1H-pyrazol-5-yl)acetonitrile: 23784-89-6;151-50-8;69658-97-5. |
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. |