15029-32-0

• 常用中文名：4-(氰乙酰基)吗啉
• 常用英文名：N-(Cyanoacetyl)morpholine
• CAS号：15029-32-0
• 分子式：C₇H₁₀N₂O₂
• 分子量：154.167
• 发布时间：2018-03-30 08:00:00
• 更新时间：2024-01-05 09:09:49

名称

• 中文名: N-氰乙酰基吗啡啉
• 英文名: n-cyanoacetylmorpholine
• 中文别名: 4-(氰乙酰基)吗啉; N-氰乙酰基吗啉
• 英文别名: (Morpholinocarbonyl)acetonitrile; 3-(morpholin-4-yl)-3-oxopropanenitrile; Acetonitrile, (morpholinocarbonyl)-; EINECS 239-112-1; Morpholinocarbonylacetonitrile; 4-Morpholinepropanenitrile, β-oxo-; Morpholine, 4-(cyanoacetyl)-; Acetonitrile, morpholinocarbonyl-; Morpholine, 4- (cyanoacetyl)-; 4-CYANOACETYLMORPHOLINE; MFCD00023353; 4-(Cyanoacetyl)morpholine; N-(Cyanoacetyl)morpholine; 3-(4-Morpholinyl)-3-oxopropanenitrile; 3-morpholin-4-yl-3-oxopropanenitrile

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 356.4±37.0 °C at 760 mmHg
• 熔点: 87 °C
• 分子式: C₇H₁₀N₂O₂
• 分子量: 154.167
• 闪点: 169.3±26.5 °C
• 精确质量: 154.074234
• PSA: 53.33000
• LogP: -0.85
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.488
• 储存条件:

  常温密闭避光，通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料： 氧化物
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：37.37

  2、 摩尔体积（m³/mol）：129.7

  3、 等张比容（90.2K）：341.9

  4、 表面张力（dyne/cm）：48.3

  5、 极化率（10^-24cm³）：14.81

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.8

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积53.3

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:188

  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

• 更多:

  1.性状：未确定

  2.密度（g/mL,25/4℃）：未确定

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：87

  5.沸点（ºC,常压）：未确定

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率：未确定

  8.闪点（ºC）：未确定

  9.比旋光度（º）：未确定

  10.自燃点或引燃温度（ºC）：未确定

  11.蒸气压（kPa,25ºC）：未确定

  12.饱和蒸气压（kPa,60ºC）：未确定

  13.燃烧热（KJ/mol）：未确定

  14.临界温度（ºC）：未确定

  15.临界压力（KPa）：未确定

  16.油水（辛醇/水）分配系数的对数值：未确定

  17.爆炸上限（%,V/V）：未确定

  18.爆炸下限（%,V/V）：未确定

  19.溶解性：未确定

MSDS

Name: 3-Morpholino-3-oxopropanenitrile 97% Material Safety Data Sheet Synonym: N-Cyanoacetylmorpholin CAS: 15029-32-0 Section 1 - Chemical Product MSDS Name:3-Morpholino-3-oxopropanenitrile 97% Material Safety Data Sheet Synonym:N-Cyanoacetylmorpholin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 15029-32-0 3-Morpholino-3-oxopropanenitrile 97% 239-112-1 Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause 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# 15029-32-0: 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: 86 - 88 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: C7H10N2O2 Molecular Weight: 154 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids, bases. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 15029-32-0: AM1230000 LD50/LC50: Not available. Carcinogenicity: 3-Morpholino-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. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 15029-32-0: No information available. Canada CAS# 15029-32-0 is listed on Canada's DSL List. CAS# 15029-32-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 15029-32-0 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性：大鼠静脉LD50:180 mg/kg 生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : AM1230000 CHEMICAL NAME : Acetonitrile, morpholinocarbonyl- CAS REGISTRY NUMBER : 15029-32-0 BEILSTEIN REFERENCE NO. : 0135525 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C7-H10-N2-O2 MOLECULAR WEIGHT : 154.19 WISWESSER LINE NOTATION : T6N DOTJ AV1CN HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 180 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04762 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9072 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 108 (estimated) No. of Female Employees: 72 (estimated)

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37
• 危险品运输编码: 3439
• RTECS号: AM1230000
• 海关编码: 2934999090

合成路线

110-91-8 105-56-6 ~99% 15029-32-0

文献：Riddles, Courtney N.; Whited, Mark; Lotlikar, Shalaka R.; Still, Korey; Patrauchan, Marianna; Silchenko, Svitlana; Gerasimchuk, Nikolay Inorganica Chimica Acta, 2014 , vol. 412, p. 94 - 103

110-91-8 372-09-8 ~75% 15029-32-0

文献：Zhou, Wei; Li, Hai-bo; Xia, Chun-nian; Zheng, Xian-ming; Hu, Wei-xiao Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 7 p. 1861 - 1865

110-91-8 105-34-0 ~92% 15029-32-0

文献：Costa, Marta; Areias, Filipe; Castro, Marian; Brea, Jose; Loza, Maria I.; Proena, Fernanda Organic and Biomolecular Chemistry, 2011 , vol. 9, # 11 p. 4242 - 4249

110-91-8 107-91-5 ~% 15029-32-0

文献：Letters in Drug Design and Discovery, , vol. 11, # 1 p. 2 - 9

211795-49-2 ~93% 15029-32-0

文献：Manikowski, Andrzej; Kolarska, Zofia Synthetic Communications, 2009 , vol. 39, # 20 p. 3621 - 3638

110-91-8 16130-58-8 ~% 15029-32-0

文献：Journal of Agricultural and Food Chemistry, , vol. 51, # 17 p. 5030 - 5035

上下游产品

上游产品  7
110-91-8 105-56-6 372-09-8 105-34-0
107-91-5 211795-49-2 16130-58-8
下游产品  4
89984-45-2 90904-52-2 57036-88-1 57036-92-7

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%