898-22-6

• 常用中文名：1,3,5-三嗪-2,4,6-三羧酸三乙酯
• 常用英文名：TRIETHYL 1 3 5-TRIAZINE-2 4 6-TRICARBOX&
• CAS号：898-22-6
• 分子式：C₁₂H₁₅N₃O₆
• 分子量：297.26400
• 发布时间：2018-12-25 21:04:40
• 更新时间：2024-01-02 18:58:55
• 下载msds

名称

• 中文名: 1,3,5-三嗪-2,4,6-三甲酸三乙酯
• 英文名: triethyl 1,3,5-triazine-2,4,6-tricarboxylate
• 中文别名: 1,3,5三乙酯三嗪-2,4,6-三羧酸
• 英文别名: 2,4,6-Triethoxycarbonyl-1,3,5-triazine; MFCD01419268; [1,3,5]triazine-2,4,6-tricarboxylic acid triethyl ester; [1,3,5]Triazin-2,4,6-tricarbonsaeure-triaethylester; 2,4,6-tris(ethoxycarbonyl)-1,3,5-triazine; triethyl s-triazine-2,4,6-tricarboxylate

物化性质

• 密度: 1.279g/cm3
• 沸点: 451.1ºC at 760 mmHg
• 熔点: 170-174ºC(lit.)
• 分子式: C₁₂H₁₅N₃O₆
• 分子量: 297.26400
• 闪点: 226.6ºC
• 精确质量: 297.09600
• PSA: 117.57000
• LogP: 0.40170
• 外观性状: 固体
• 折射率: 1.512
• 储存条件:

  常温 ， 避光，通风干燥处

• 稳定性:

  常温常压下稳定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.6

  2.氢键供体数量:0

  3.氢键受体数量:9

  4.可旋转化学键数量:9

  5.互变异构体数量:无

  6.拓扑分子极性表面积118

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:320

  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）：170-174

  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

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product name: Triethyl 1,3,5-triazine-2,4,6-tricarboxylate Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Not a dangerous substance according to GHS. This substance is not classified as dangerous according to Directive 67/548/EEC. Label elements The product does not need to be labelled in accordance with EC directives or respective national laws. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Formula: C12H15N3O6 Molecular Weight: 297,26 g/mol CAS-No.EC-No.Index-No.ClassificationConcentration Triethyl-1,3,5-triazine-2,4,6-tricarboxylate 898-22-6---- Section4. FIRST AID MEASURES If inhaled If breathed in, move person into fresh air. If not breathing give artificial respiration In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Section5. FIRE-FIGHTING MEASURES Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special protective equipment for fire-fighters Wear self contained breathing apparatus for fire fighting if necessary. Section6. ACCIDENTAL RELEASE MEASURES Personal precautions Avoid dust formation. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Sweep up and shovel. Keep in suitable, closed containers for disposal. Section7. HANDLING AND STORAGE Precautions for safe handling Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire protection. Conditions for safe storage Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Personal protective equipment Respiratory protection Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Hand protection For prolonged or repeated contact use protective gloves. Eye protection Safety glasses Hygiene measures General industrial hygiene practice. Section9. PHYSICAL AND CHEMICAL PROPERTIES Appearance Formsolid Safety data pH no data available Melting point170 - 174 °C - lit. Boiling pointno data available Flash pointno data available Ignition temperature no data available Lower explosion limit no data available Upper explosion limit no data available Water solubilityno data available Section10. STABILITY AND REACTIVITY Chemical stability Stable under recommended storage conditions. Conditions to avoid no data available Materials to avoid Strong oxidizing agents Hazardous decomposition products Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx) Section11. TOXICOLOGICAL INFORMATION Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available Germ cell mutagenicity no data available Carcinogenicity IARC: No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. May cause respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. May cause skin irritation. Eyes May cause eye irritation. Signs and Symptoms of Exposure To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Additional Information RTECS: no data available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Product Observe all federal, state, and local environmental regulations. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION ADR/RID Not dangerous goods IMDG Not dangerous goods IATA Not dangerous goods SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

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

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi
• 安全声明 (欧洲): S22-S24/25
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933699090

合成路线

623-49-4 ~99% 898-22-6

文献：Boger, Dale L.; Kochanny, Monica J. Journal of Organic Chemistry, 1994 , vol. 59, # 17 p. 4950 - 4955

108-94-1 124292-87-1 ~32% 898-22-6 124292-86-0

文献：Helvetica Chimica Acta, , vol. 72, p. 825 - 837

100-52-7 124292-87-1 ~0% 898-22-6 124292-97-3

文献：Bozhkova, Nina; Heimgartner, Heinz Helvetica Chimica Acta, 1989 , vol. 72, p. 825 - 837

4474-17-3 ~% 898-22-6

文献：Chemiker-Zeitung, Chemische Apparatur, , vol. 50, p. 448 Chem. Zentralbl., , vol. 97, # II p. 883

434-45-7 124292-87-1 ~0% 898-22-6 124292-93-9

文献：Bozhkova, Nina; Heimgartner, Heinz Helvetica Chimica Acta, 1989 , vol. 72, p. 825 - 837

7647-01-0 623-49-4 75-05-8 ~% 898-22-6

文献：Justus Liebigs Annalen der Chemie, , vol. 577, p. 77,91

7647-01-0 545-06-2 623-49-4 ~% 6542-67-2 详细

文献：Justus Liebigs Annalen der Chemie, , vol. 577, p. 77,91

上下游产品

上游产品  8
623-49-4 108-94-1 100-52-7 4474-17-3
434-45-7 7647-01-0 75-05-8 545-06-2
下游产品  9
3148-73-0 40253-46-1 91173-78-3 35045-13-7
4329-75-3 1453-82-3 91173-79-4 23297-24-7
110-21-4

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%