2-(4-Chlorophenyl)-2-cyanoacetaldehyde structure
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Common Name | 2-(4-Chlorophenyl)-2-cyanoacetaldehyde | ||
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CAS Number | 62538-21-0 | Molecular Weight | 179.60300 | |
Density | 1.263 g/cm3 | Boiling Point | 283.8ºC at 760 mmHg | |
Molecular Formula | C9H6ClNO | Melting Point | 157ºC | |
MSDS | N/A | Flash Point | 125.4ºC |
Name | 2-(4-Chlorophenyl)-2-cyanoacetaldehyde |
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Synonym | More Synonyms |
Density | 1.263 g/cm3 |
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Boiling Point | 283.8ºC at 760 mmHg |
Melting Point | 157ºC |
Molecular Formula | C9H6ClNO |
Molecular Weight | 179.60300 |
Flash Point | 125.4ºC |
Exact Mass | 179.01400 |
PSA | 40.86000 |
LogP | 2.14608 |
Index of Refraction | 1.552 |
Synonym:2-(4-Chlorophenyl)-2-cyanoacetaldehyd 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 62538-21-0: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 144 - 146 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: C9H6ClNO Molecular Weight: 180 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, acids, bases, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 62538-21-0: AL8310000 LD50/LC50: Not available. Carcinogenicity: 2-(4-Chlorophenyl)-3-oxopropanenitrile - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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# 62538-21-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 62538-21-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 62538-21-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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Hazard Codes | Xn: Harmful; |
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Risk Phrases | R20/21/22;R36/37/38 |
Safety Phrases | S26-S36/37/39 |
RIDADR | UN 3276 |
HS Code | 2926909090 |
~69% 2-(4-Chlorophen... CAS#:62538-21-0 |
Literature: Taliani, Sabrina; Pugliesi, Isabella; Barresi, Elisabetta; Salerno, Silvia; Marchand, Christophe; Agama, Keli; Simorini, Francesca; La Motta, Concettina; Marini, Anna Maria; Di Leva, Francesco Saverio; Marinelli, Luciana; Cosconati, Sandro; Novellino, Ettore; Pommier, Yves; Di Santo, Roberto; Da Settimo, Federico Journal of Medicinal Chemistry, 2013 , vol. 56, # 18 p. 7458 - 7462 |
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% |
2-(4-chlorophenyl)-3-oxopropanenitrile |