110-47-4

• 常用中文名：3-异丙氧基丙腈
• 常用英文名：3-isopropoxypropiononitrile
• CAS号：110-47-4
• 分子式：C₆H₁₁NO
• 分子量：113.15800
• 发布时间：2018-05-04 08:00:00
• 更新时间：2024-02-04 21:07:28

名称

• 中文名: 3-异丙氧基丙腈
• 英文名: β-ISOPROPOXYPROPIONITRILE
• 英文别名: 3-Isopropoxypropanenitrile; Propionitrile,3-isopropoxy; 3-Isopropyloxy-propionitril; 3-ISOPROPOXYPROPIONITRILE; EINECS 203-771-3; 3-isopropoxypropiononitrile; Isopropoxypropionitrile

物化性质

• 密度: 0.886g/cm3
• 沸点: 188.1ºC at 760 mmHg
• 分子式: C₆H₁₁NO
• 分子量: 113.15800
• 闪点: 75.1ºC
• 精确质量: 113.08400
• PSA: 33.02000
• LogP: 1.32508
• 蒸汽压: 0.61mmHg at 25°C
• 折射率: 1.407
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：31.46

  2、 摩尔体积（cm³/mol）：127.6

  3、 等张比容（90.2K）：296.2

  4、 表面张力（dyne/cm）：28.9

  5、 极化率（10-24cm3）：12.47

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.6

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积33

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:89.9

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

MSDS

Name: Isopropoxypropionitrile 99+% Material Safety Data Sheet Synonym: CAS: 110-47-4 Section 1 - Chemical Product MSDS Name:Isopropoxypropionitrile 99+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 110-47-4 3-isopropoxypropionitrile 99+ 203-771-3 Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Appearance: clear, colorless. Not available. Target Organs: None. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. 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 immediately. Skin: Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Keep container closed when not in use. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits +--------------------+-------------------+-------------------+-----------------+ | Chemical Name | ACGIH | NIOSH |OSHA - Final PELs| |--------------------|-------------------|-------------------|-----------------| | 3-isopropoxypropion|none listed |none listed |none listed | | itrile | | | | +--------------------+-------------------+-------------------+-----------------+ OSHA Vacated PELs: 3-isopropoxypropionitrile: No OSHA Vacated PELs are listed for this chemical. Personal Protective Equipment Eyes: Wear chemical goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant a respirator's use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Not available. Appearance: clear, colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 0 deg C Autoignition Temperature: Not available. Flash Point: Not available. NFPA Rating: health-1; flammability-2; reactivity-1 Explosion Limits, Lower: Not available. Upper: Not available. Decomposition Temperature: Solubility: Specific Gravity/Density: Molecular Formula: C6H11NO Molecular Weight: 113.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 110-47-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-isopropoxypropionitrile - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA. See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Chemical waste generators must determine whether a discarded chemical is classif as a hazardous waste. US EPA guidelines for the classification determination are listed in 40 CFR Part Additionally, waste generators must consult state and local hazardous waste regu ensure complete and accurate classification. RCRA P-Series: None listed. RCRA U-Series: None listed. Section 14 - TRANSPORT INFORMATION CDG/CPL Not classified as hazardous for supply. Canadian TDG No information available. 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. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 110-47-4: 2 United Kingdom Occupational Exposure Limits Canada None of the chemicals in this product are listed on the DSL/NDSL list. WHMIS: Not available. CAS# 110-47-4 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 110-47-4 is listed on the TSCA inventory. Health & Safety Reporting List None of the chemicals are on the Health & Safety Reporting List. Chemical Test Rules None of the chemicals in this product are under a Chemical Test Rule. Section 12b None of the chemicals are listed under TSCA Section 12b. TSCA Significant New Use Rule None of the chemicals in this material have a SNUR under TSCA. SARA Section 302 (RQ) None of the chemicals in this material have an RQ. Section 302 (TPQ) None of the chemicals in this product have a TPQ. Section 313 No chemicals are reportable under Section 313. Clean Air Act: This material does not contain any hazardous air pollutants. This material does not contain any Class 1 Ozone depletors. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 海关编码: 2926909090

合成路线

107-13-1 67-63-0 ~83% 110-47-4

文献：Chemical Communications, , # 2 p. 227 - 229

109-75-1 67-63-0 ~81% 110-47-4

文献：Tetrahedron, , vol. 58, # 21 p. 4311 - 4317

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%