62538-21-0

• 常用中文名：2-(4-氯苯基)-2-氰基乙醛
• 常用英文名：2-(4-Chlorophenyl)-2-cyanoacetaldehyde
• CAS号：62538-21-0
• 分子式：C₉H₆ClNO
• 分子量：179.60300
• 发布时间：2018-10-09 12:04:36
• 更新时间：2024-01-02 08:59:27

名称

• 中文名: 2-(4-氯苯基)-2-氰基乙醛
• 英文名: 2-(4-Chlorophenyl)-2-cyanoacetaldehyde
• 中文别名: 2-(4-氯苯基)-3-氧丙腈
• 英文别名: 2-(4-chlorophenyl)-3-oxopropanenitrile

物化性质

• 密度: 1.263 g/cm3
• 沸点: 283.8ºC at 760 mmHg
• 熔点: 157ºC
• 分子式: C₉H₆ClNO
• 分子量: 179.60300
• 闪点: 125.4ºC
• 精确质量: 179.01400
• PSA: 40.86000
• LogP: 2.14608
• 折射率: 1.552
• 储存条件: 2-8°C，干燥，密封

MSDS

Name: 2-(4-Chlorophenyl)-3-oxopropanenitrile 95+% Material Safety Data Sheet Synonym: 2-(4-Chlorophenyl)-2-cyanoacetaldehyd CAS: 62538-21-0 Section 1 - Chemical Product MSDS Name:2-(4-Chlorophenyl)-3-oxopropanenitrile 95+% Material Safety Data Sheet Synonym:2-(4-Chlorophenyl)-2-cyanoacetaldehyd Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 62538-21-0 2-(4-Chlorophenyl)-3-oxopropanenitrile 95+% unlisted Hazard Symbols: XN 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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : AL8310000 CHEMICAL NAME : Acetonitrile, 2-(p-chlorophenyl)-2-formyl- CAS REGISTRY NUMBER : 62538-21-0 BEILSTEIN REFERENCE NO. : 0743641 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C9-H6-Cl-N-O MOLECULAR WEIGHT : 179.61 WISWESSER LINE NOTATION : VHYCN&R DG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 50 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22;R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: UN 3276
• 海关编码: 2926909090

合成路线

109-94-4 140-53-4 ~69% 62538-21-0

文献：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

上下游产品

上游产品  2
109-94-4 140-53-4
下游产品  2
40373-88-4 57999-09-4

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
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%