7779-27-3

• 常用中文名：1,3,5-三乙基六氢-S-三叠氮
• 常用英文名：1,3,5-triethyl-1,3,5-triazinane
• CAS号：7779-27-3
• 分子式：C₉H₂₁N₃
• 分子量：171.28300
• 相关类别： 化学试剂 有机试剂 叠氮
• 发布时间：2018-11-24 16:38:17
• 更新时间：2024-01-14 19:15:36

名称

• 中文名: 1,3,5-三乙基六氢-S-三叠氮
• 英文名: 1,3,5-triethyl-1,3,5-triazinane
• 中文别名: 1,3,5-三乙基六氢-S-三吖嗪
• 英文别名: 1,3,5-Triazine,1,3,5-triethylhexahydro; 1,3,5-Triethylhexahydro-s-triazine; Hexahydro-1,3,5-triethyl-s-triazine; hexahydro-1,3,5-triethyl-1,3,5-triazine; Vancide-TH; EINECS 231-924-4; 1,3,5-triethylhexahydro-1,3,5-triazine; Triethyl-trimethylenetriamine; s-Triazine,1,3,5-triethylhexahydro; 1,3,5-triethyl-1,3,5-triazacyclohexane; 1,3,5-triethylhexahydrotriazine

物化性质

• 密度: 0.894 g/mL at 25ºC(lit.)
• 沸点: 207 - 208ºC
• 分子式: C₉H₂₁N₃
• 分子量: 171.28300
• 闪点: 158 °F
• 精确质量: 171.17400
• PSA: 9.72000
• LogP: 0.65190
• 外观性状: 透明至淡黄色液体
• 折射率: n20/D 1.4595(lit.)
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：52.51

  2、 摩尔体积（m³/mol）：192.3

  3、 等张比容（90.2K）：439.8

  4、 表面张力（3.0 dyne/cm）：27.3

  5、 极化率（0.5 10 ^-24cm ³）：20.81

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.5

  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:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积9.7

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:91.2

  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：无可用

  2. 密度（g/mL,25/4℃）：0.894

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：207-208

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.4595

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: 1 3 5-Triethylhexahydro-S-Triazine 97% Material Safety Data Sheet Synonym: None known CAS: 7779-27-3 Section 1 - Chemical Product MSDS Name:1 3 5-Triethylhexahydro-S-Triazine 97% Material Safety Data Sheet Synonym:None known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 7779-27-3 Hexahydro-1,3,5-Triethyl-S-Triazine 97 231-924-4 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Do NOT use mouth-to-mouth resuscitation. 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. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Water may be ineffective. Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 7779-27-3: 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: 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 respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear, colorless Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 207.0 - 208.0 deg C Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 158 deg F ( 70.00 deg C) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .8940g/cm3 Molecular Formula: C9H21N3 Molecular Weight: 171.28 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 7779-27-3: XY9275000 LD50/LC50: CAS# 7779-27-3: Draize test, rabbit, eye: 100 mg Severe; Oral, mouse: LD50 = 370 mg/kg; Oral, rat: LD50 = 316 mg/kg. Carcinogenicity: Hexahydro-1,3,5-Triethyl-S-Triazine - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. 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# 7779-27-3: No information available. Canada CAS# 7779-27-3 is listed on Canada's DSL List. CAS# 7779-27-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 7779-27-3 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 。 试验方法：口服 摄入剂量： 370毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用：肝炎（肝细胞坏死） 2 。 试验方法：行政上的皮肤 摄入剂量： 2毫克/千克 测试对象：啮齿动物-兔 毒性类型：急性 毒性作用：详细的毒副作用没有报告以外的其他致死剂量值 3 。 试验方法：行政上的皮肤 摄入剂量： 7 mL/kg/14D-I 测试对象：啮齿动物-兔 毒性类型： MutipleDose 毒性作用： 1.肺，胸部或呼吸-急性肺水肿 2其他变化 3.慢性数据-死亡 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : XY9275000 CHEMICAL NAME : s-Triazine, hexahydro-1,3,5-triethyl- CAS REGISTRY NUMBER : 7779-27-3 BEILSTEIN REFERENCE NO. : 0106840 LAST UPDATED : 199709 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C9-H21-N3 MOLECULAR WEIGHT : 171.33 WISWESSER LINE NOTATION : T6N CN ENTJ A2 C2 E2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 1,1,1977/1978 TYPE OF TEST : Rinsed with water ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 1,1,1977/1978 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 316 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 39,56,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 370 mg/kg TOXIC EFFECTS : Liver - hepatitis (hepatocellular necrosis), zonal REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 10,404,1967 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 10,404,1967 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 7 mL/kg/14D-I TOXIC EFFECTS : Lungs, Thorax, or Respiration - acute pulmonary edema Liver - other changes Related to Chronic Data - death REFERENCE : DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 1,1,1977/1978 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 20/21/22-36/37/38
• 安全声明 (欧洲): 16-26-36/37/39-45
• 危险品运输编码: UN 2927
• WGK德国: 3
• RTECS号: XY9275000
• 包装等级: I
• 危险类别: 6.1(a)
• 海关编码: 2933699090

合成路线

50-00-0 75-04-7 ~83% 7779-27-3

文献：Wu, Hui; Yuan, Rui; Wan, Yu; Yin, Wei; Pang, Li-Ling Asian Journal of Chemistry, 2010 , vol. 22, # 2 p. 1097 - 1102

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文献：Tetrahedron, , vol. 44, # 14 p. 4431 - 4446

75-09-2 75-04-7 ~24% 7779-27-3 33561-65-8

文献：Journal of Chemical Research, Miniprint, , # 7 p. 1671 - 1683

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文献：DE448697 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 15, p. 1184

75-09-2 75-04-7 ~% 34866-40-5 7779-27-3 详细

文献：Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 106, # 1-4 p. 125 - 130

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文献：Angewandte Chemie, , vol. 102, # 8 p. 917 - 919

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文献：Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 17, p. 231 Chemische Berichte, 18 Ref. <1885>,611

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海关

海关编码	2933699090
中文概述	2933699090 其他结构上含非稠合三嗪环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933699090 other compounds containing an unfused triazine ring (whether or not hydrogenated) in the structure。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%