5-(Trifluoromethyl)picolinonitrile
5-(Trifluoromethyl)picolinonitrile structure
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Common Name | 5-(Trifluoromethyl)picolinonitrile | ||
|---|---|---|---|---|
| CAS Number | 95727-86-9 | Molecular Weight | 172.107 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 232.3±40.0 °C at 760 mmHg | |
| Molecular Formula | C7H3F3N2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 94.3±27.3 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-(Trifluoromethyl)picolinonitrile |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 232.3±40.0 °C at 760 mmHg |
| Molecular Formula | C7H3F3N2 |
| Molecular Weight | 172.107 |
| Flash Point | 94.3±27.3 °C |
| Exact Mass | 172.024826 |
| PSA | 36.68000 |
| LogP | 1.88 |
| Appearance of Characters | Solid |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.457 |
| InChIKey | WDSCJULUXJSJOX-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(C(F)(F)F)cn1 |
| Water Solubility | Slightly soluble in water. |
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-Cyano-5-(trifluoromethyl)pyridine Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H302:Harmful if swallowed
H312:Harmful in contact with skin H332:Harmful if inhaled Causes skin irritation H315: H319:Causes serious eye irritation H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray P280:Wear protective gloves/protective clothing/eye protection/face protection P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing P405:Store locked up Section3. Composition/information on ingredients. Ingredient name:2-Cyano-5-(trifluoromethyl)pyridine CAS number:95727-86-9 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. Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate Eye contact: 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. Storage:Store in closed vessels. 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 Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula: C7H3F3N2 Molecular weight: 172.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride. 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 UN Number:UN3439 Class: 6.1 Packing group: III Proper shipping name: NITRILES, TOXIC, SOLID, N.O.S. (2-Cyano-5-(trifluoromethyl)pyridine) 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 | T: Toxic;Xi: Irritant; |
|---|---|
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
5-(Trifluoromet... CAS#:95727-86-9 |
| Literature: US2006/9456 A1, ; Page/Page column 53 ; US 20060009456 A1 |
|
~%
5-(Trifluoromet... CAS#:95727-86-9 |
| Literature: US2005/113576 A1, ; Page/Page column 68 ; US 20050113576 A1 |
|
~%
5-(Trifluoromet... CAS#:95727-86-9 |
| Literature: US2004/157849 A1, ; US 20040157849 A1 |
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~73%
5-(Trifluoromet... CAS#:95727-86-9 |
| Literature: Cai, Sui Xiong; Zhang, Han-Zhong; Drewe, John A.; Reddy, P. Sanjeeva; Kasibhatla, Shailaja; Kuemmerle, Jared Daniel; Ollis, Kristin P. Patent: US2003/45546 A1, 2003 ; US 20030045546 A1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 4 | |
CAS#:248274-16-0
CAS#:80194-69-0
CAS#:164341-39-3
CAS#:175277-44-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine 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.
| T6NJ BCN EXFFF |
| 5-(Trifluoromethyl)-2-pyridinecarbonitrile |
| 5-(Trifluoromethyl)pyridine-2-carbonitrile |
| 2-Cyano-5-(trifluoromethyl)pyridine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the physical appearance of 5-(Trifluoromethyl)picolinonitrile? |
| A: 5-(Trifluoromethyl)picolinonitrile appears as Solid. |
| Q: What are the downstream products of 5-(Trifluoromethyl)picolinonitrile? |
| A: Related downstream products(CAS) of 5-(Trifluoromethyl)picolinonitrile: 248274-16-0;80194-69-0;164341-39-3;175277-44-8. |
| Q: What is the InChIKey of 5-(Trifluoromethyl)picolinonitrile? |
| A: InChIKey of 5-(Trifluoromethyl)picolinonitrile is WDSCJULUXJSJOX-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 5-(Trifluoromethyl)picolinonitrile? |
| A: Molecular weight of 5-(Trifluoromethyl)picolinonitrile is 172.107. |
| Q: What is the SMILES notation of 5-(Trifluoromethyl)picolinonitrile? |
| A: SMILES notation of 5-(Trifluoromethyl)picolinonitrile is N#Cc1ccc(C(F)(F)F)cn1. |
| Q: How is the water solubility of 5-(Trifluoromethyl)picolinonitrile? |
| A: Water solubility of 5-(Trifluoromethyl)picolinonitrile: Slightly soluble in water. |
| Q: What is the CAS number of 5-(Trifluoromethyl)picolinonitrile? |
| A: CAS number of 5-(Trifluoromethyl)picolinonitrile is 95727-86-9. |
| Q: What is the molecular formula of 5-(Trifluoromethyl)picolinonitrile? |
| A: Molecular formula of 5-(Trifluoromethyl)picolinonitrile is C7H3F3N2. |
| Q: What is the English name of 5-(Trifluoromethyl)picolinonitrile? |
| A: The English name of 5-(Trifluoromethyl)picolinonitrile is 5-(Trifluoromethyl)picolinonitrile. |
| Q: What is the boiling point of 5-(Trifluoromethyl)picolinonitrile? |
| A: Boiling point of 5-(Trifluoromethyl)picolinonitrile is 232.3±40.0 °C at 760 mmHg. |
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. |