295-14-7

• 常用中文名：1,4,7,10-四氮环十四烷
• 常用英文名：1,4,7,10-Tetraazacyclotridecane
• CAS号：295-14-7
• 分子式：C₉H₂₂N₄
• 分子量：186.29800
• 发布时间：2018-08-14 16:29:15
• 更新时间：2024-01-20 11:04:02

名称

• 中文名: 1,4,7,10-四氮环十四烷
• 英文名: 1,4,7,10-tetrazacyclotridecane
• 中文别名: 1,4,7,10-四氮杂环十三烷
• 英文别名: 1,4,7,11-tetraazacyclotridecane; 1,4,7,10-tetra-azacyclotridecane; 1,4,7,8-tetra-azacyclotridecane; 1,4,7,10-Tetraazacyclotridecane

物化性质

• 密度: 0.867g/cm3
• 沸点: 300.5ºC at 760mmHg
• 分子式: C₉H₂₂N₄
• 分子量: 186.29800
• 闪点: 139.7ºC
• 精确质量: 186.18400
• PSA: 48.12000
• LogP: 0.06370
• 蒸汽压: 0.001mmHg at 25°C
• 折射率: 1.425
• 分子结构:

  1、 摩尔折射率：50.28

  2、 摩尔体积（cm³/mol）：197.0

  3、 等张比容（90.2K）：451.6

  4、 表面张力（dyne/cm）：27.6

  5、 极化率（10-24cm3）：19.93

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-1.4

  2.氢键供体数量:4

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积48.1

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:95.8

  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:

  一、物性数据

  性状：不可用

  密度（g/mL,25/4℃）：不可用

  相对蒸汽密度（g/mL,空气=1）：不可用

  熔点（ºC）：不可用

  沸点（ºC,常压）：不可用

  沸点（ºC,5.2kPa）：不可用

  折射率：不可用

  闪点（ºC）：不可用

  比旋光度（º）：不可用

  自燃点或引燃温度（ºC）：不可用

  蒸气压（kPa,25ºC）：不可用

  饱和蒸气压（kPa,60ºC）：不可用

  燃烧热（KJ/mol）：不可用

  临界温度（ºC）：不可用

  临界压力（KPa）：不可用

  油水（辛醇/水）分配系数的对数值：不可用

  爆炸上限（%,V/V）：不可用

  爆炸下限（%,V/V）：不可用

  溶解性：不可用

MSDS

Section 1: Product Identification Chemical Name:1,4,7,10-Tetraazacyclotridecane, min. 98% CAS Registry Number:295-14-7 Formula:C9H22N4 EINECS Number:none Chemical Family:organic amine Synonym:none Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound295-14-7100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract Primary Routes of Exposure:Inhalation, skin, eyes Eye Contact:Causes slight to mild irritation of the eyes. Skin Contact:Causes irritation to the skin Inhalation:Causes irritation to the nose, mucous membranes and respiratory tract Ingestion:No information on the physiological effects of ingestion. May be harmful if swallowed. Acute Health Affects:Irritating to skin, eyes and respiratory tract Chronic Health Affects:No information available on long-term chronic effects NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:no data Autoignition Temperature:no data Explosion Limits:none Extinguishing Medium:carbon dioxide, dry chemical or foam If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire, this material may emit irritating organic fumes Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards SECTION 6: Accidental Release Measures Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and Spill and Leak Procedures: swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a tightly sealed container. Keep in a cool, dry place. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:Handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:white to yellow powder Molecular Weight:186.30 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide, nitrogen oxides and organic fumes SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files Carcinogenic Effects:No data Mutagenic Effects:No data Tetratogenic Effects:No data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory SARA (Title 313):Title compound not listed Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

安全

• 海关编码: 2933990090

合成路线

4741-99-5 ~% 295-14-7

文献：Prokhorov, Anton; Le Bris, Nathalie; Bernard, Helene; Claudon, Geraldine; Handel, Henri Synthetic Communications, 2006 , vol. 36, # 21 p. 3271 - 3282

112-24-3 ~% 295-14-7

文献：Prokhorov, Anton; Le Bris, Nathalie; Bernard, Helene; Claudon, Geraldine; Handel, Henri Synthetic Communications, 2006 , vol. 36, # 21 p. 3271 - 3282

773837-37-9 164203-36-5 ~% 48042-08-6 295-14-7

文献：Fabbrizzi, Luigi; Micheloni, Mauro; Paoletti, Piero Inorganic Chemistry, 1980 , vol. 19, p. 535 - 538

773837-37-9 71928-49-9 ~% 48042-08-6 295-14-7

文献：Fabbrizzi, Luigi; Micheloni, Mauro; Paoletti, Piero Inorganic Chemistry, 1980 , vol. 19, p. 535 - 538

上下游产品

上游产品  3
4741-99-5 112-24-3 773837-37-9
下游产品  1
60239-20-5

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%