3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE structure
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Common Name | 3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE | ||
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CAS Number | 13610-55-4 | Molecular Weight | 188.18300 | |
Density | 1.301g/cm3 | Boiling Point | 368.9ºC at 760mmHg | |
Molecular Formula | C10H8N2O2 | Melting Point | 119-121ºC(lit.) | |
MSDS | N/A | Flash Point | 176.9ºC |
Name | 3-(2-oxo-1,3-benzoxazol-3-yl)propanenitrile |
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Synonym | More Synonyms |
Density | 1.301g/cm3 |
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Boiling Point | 368.9ºC at 760mmHg |
Melting Point | 119-121ºC(lit.) |
Molecular Formula | C10H8N2O2 |
Molecular Weight | 188.18300 |
Flash Point | 176.9ºC |
Exact Mass | 188.05900 |
PSA | 58.93000 |
LogP | 1.50818 |
Vapour Pressure | 1.23E-05mmHg at 25°C |
Index of Refraction | 1.583 |
Synonym:3-(2-Benzoxazolinin-3-yl)propionitril 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: 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# 13610-55-4: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 118 - 120 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: C10H8N2O2 Molecular Weight: 188 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, bases. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13610-55-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)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# 13610-55-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13610-55-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13610-55-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
Hazard Codes | Xi: Irritant; |
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Risk Phrases | R36/37/38 |
Safety Phrases | 26-36 |
HS Code | 2934999090 |
~83% 3-(2-OXO-2,3-DI... CAS#:13610-55-4 |
Literature: Ram, Ram N.; Soni, Vineet Kumar Journal of Organic Chemistry, 2013 , vol. 78, # 23 p. 11935 - 11947 |
~73% 3-(2-OXO-2,3-DI... CAS#:13610-55-4 |
Literature: D'Amico, John J.; Bollinger, Frederic G. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1487 - 1496 |
~% 3-(2-OXO-2,3-DI... CAS#:13610-55-4 |
Literature: Journal of Organic Chemistry, , vol. 78, # 23 p. 11935 - 11947 |
Precursor 5 | |
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DownStream 4 | |
HS Code | 2934999090 |
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Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanenitrile |
3-Benzoxazolonyl-(3)-propionitril |
3-(2-oxo-benzooxazol-3-yl)-propionitrile |
3-(2-cyanoethyl)benzoxazolone |
3-(2-oxo-3-hydrobenzoxazol-3-yl)propanenitrile |
2-oxo-3(2H)-benzoxazolinepropionitrile |