4-(Trifluoromethoxy)benzoylacetonitrile structure
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Common Name | 4-(Trifluoromethoxy)benzoylacetonitrile | ||
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CAS Number | 122454-46-0 | Molecular Weight | 229.155 | |
Density | 1.3±0.1 g/cm3 | Boiling Point | 315.4±42.0 °C at 760 mmHg | |
Molecular Formula | C10H6F3NO2 | Melting Point | 82-84°C | |
MSDS | N/A | Flash Point | 144.6±27.9 °C |
Name | 4-(Trifluoromethoxy)benzoyl acetonitrile |
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Synonym | More Synonyms |
Density | 1.3±0.1 g/cm3 |
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Boiling Point | 315.4±42.0 °C at 760 mmHg |
Melting Point | 82-84°C |
Molecular Formula | C10H6F3NO2 |
Molecular Weight | 229.155 |
Flash Point | 144.6±27.9 °C |
Exact Mass | 229.035065 |
PSA | 50.09000 |
LogP | 2.08 |
Vapour Pressure | 0.0±0.7 mmHg at 25°C |
Index of Refraction | 1.472 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. 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# 122454-46-0: 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: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 82.5 - 84 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: C10H6F3NO2 Molecular Weight: 229 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Reducing agents, strong oxidizing agents. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 122454-46-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile - 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 Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 122454-46-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 122454-46-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 122454-46-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | T |
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Risk Phrases | R20/21/22 |
Safety Phrases | S26-S36/37/39 |
RIDADR | 3439 |
HS Code | 2926909090 |
~87% 4-(Trifluoromet... CAS#:122454-46-0 |
Literature: Joubran, Lida; Jackson, W. Roy; Campi, Eva M.; Robinson, Andrea J.; Wells, Bradley A.; Godfrey, Peter D.; Callaway, Jennifer K.; Jarrott, Bevyn Australian Journal of Chemistry, 2003 , vol. 56, # 6 p. 597 - 605 |
Precursor 2 | |
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DownStream 0 |
HS Code | 2926909090 |
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Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile |
β-Oxo-4-(trifluoromethoxy)benzenepropanenitrile |
Benzenepropanenitrile, β-oxo-4-(trifluoromethoxy)- |
4-(Trifluoromethoxy)benzoylacetonitrile |
NC1VR DOXFFF |
MFCD00052146 |