56279-50-6

• 常用中文名：2,2-二氯十八酸
• 常用英文名：2,2-Dichlorooctadecanoic acid
• CAS号：56279-50-6
• 分子式：C₁₉H₃₆Cl₂O₂
• 分子量：367.39400
• 发布时间：2018-10-02 16:55:42
• 更新时间：2024-01-09 15:40:44

名称

• 中文名: 2,2-二氯十八酸
• 英文名: 2,2-Dichlorooctadecanoic acid
• 英文别名: Octadecanoic acid,dichloro; 2,2-DICHLORO-1,4-BUTANEDIOL; 2,2-Dichlor-octadecansaeure; Dihydrooctadecanoic acid; 2,2-dichloro-octadecanoic acid

物化性质

• 分子式: C₁₉H₃₆Cl₂O₂
• 分子量: 367.39400
• 精确质量: 366.20900
• PSA: 37.30000
• LogP: 7.50640
• 计算化学:

  1.疏水参数计算参考值（XlogP）:9.2

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:16

  5.互变异构体数量:无

  6.拓扑分子极性表面积:37.3

  7.重原子数量:22

  8.表面电荷:0

  9.复杂度:268

  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: 2 2-Dichlorooctadecanoic acid 90% Material Safety Data Sheet Synonym: None CAS: 56279-50-6 Section 1 - Chemical Product MSDS Name:2 2-Dichlorooctadecanoic acid 90% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 56279-50-6 2,2-Dichlorooctadecanoic acid, 90% 90% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Corrosive. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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 foam, dry chemical, or carbon dioxide. 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. Reduce airborne dust and prevent scattering by moistening with water. Clean up spills immediately, observing precautions in the Protective Equipment section. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 56279-50-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: slightly yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 40 - 43 deg C Autoignition Temperature: Not available. Flash Point: 180 deg C ( 356.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: 180 deg C Solubility in water: Specific Gravity/Density: Molecular Formula: C18H34Cl2O2 Molecular Weight: 353.36 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 56279-50-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,2-Dichlorooctadecanoic acid, 90% - 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: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3261 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. 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. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 56279-50-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 56279-50-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 56279-50-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

合成路线

119450-47-4 ~76% 506-12-7 56279-50-6

文献：Buyck, L. De; Casaert, F.; Lepeleire, C. De; Schamp, N. Bulletin des Societes Chimiques Belges, 1988 , vol. 97, # 7 p. 525 - 534

856156-00-8 ~% 56279-50-6

文献：v. Braun Justus Liebigs Annalen der Chemie, 1931 , vol. 490, p. 100,132

112-92-5 ~% 56279-50-6

文献：Buyck, L. De; Casaert, F.; Lepeleire, C. De; Schamp, N. Bulletin des Societes Chimiques Belges, 1988 , vol. 97, # 7 p. 525 - 534

161033-30-3 ~% 56279-49-3 56279-50-6

文献：Stevens, Christian; De Buyck, Laurent; De Kimpe, Norbert Tetrahedron Letters, 1998 , vol. 39, # 47 p. 8739 - 8742

20198-92-9 ~% 56279-50-6

文献：v. Braun Justus Liebigs Annalen der Chemie, 1931 , vol. 490, p. 100,132

112-76-5 ~% 56279-50-6

文献：v. Braun Justus Liebigs Annalen der Chemie, 1931 , vol. 490, p. 100,132

29878-14-6 ~% 56279-50-6

文献：v.Braun; Jostes; Muench Justus Liebigs Annalen der Chemie, 1927 , vol. 453, p. 134

856067-83-9 ~% 56279-50-6

文献：v.Braun; Jostes; Muench Justus Liebigs Annalen der Chemie, 1927 , vol. 453, p. 134

856156-00-8 98-11-3 ~% 56279-50-6

文献：v. Braun Justus Liebigs Annalen der Chemie, 1931 , vol. 490, p. 100,132

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119450-47-4 856156-00-8 112-92-5 20198-92-9
112-76-5 29878-14-6 856067-83-9 98-11-3
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