27089-56-1

• 常用中文名：2-硫代-6-氮杂尿苷
• 常用英文名：1,2,4-Triazin-5(2H)-one,3,4-dihydro-2-b-D-ribofuranosyl-3-thioxo-
• CAS号：27089-56-1
• 分子式：C₈H₁₁N₃O₅S
• 分子量：261.25500
• 发布时间：2018-04-26 08:00:00
• 更新时间：2024-07-19 12:11:33

名称

• 中文名: 2-硫代-6-氮杂尿苷
• 英文名: 2-thio-6-azauridine
• 英文别名: MFCD00006473; 2-Thio-6-azauridin; 6-aza-2-thiouridine

物化性质

• 密度: 2.02g/cm3
• 熔点: 201-203ºC(lit.)
• 分子式: C₈H₁₁N₃O₅S
• 分子量: 261.25500
• 精确质量: 261.04200
• PSA: 152.69000
• 折射率: 1.827
• 储存条件:

  密闭于-20 ºC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：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：-1.5

  2、 氢键供体数量：4

  3、 氢键受体数量：6

  4、 可旋转化学键数量：2

  5、 拓扑分子极性表面积（TPSA）：115

  6、 重原子数量：17

  7、 表面电荷：0

  8、 复杂度：376

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：4

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：白色至淡黄色

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：201-203

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  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

Version 1.2 Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name2-THIO-6-AZAURIDINE 2 - Hazards Identification 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number 2-THIO-6-AZAURIDINE27089-56-1 248-218-7 None FormulaC8H11N3O5S Molecular Weight 261,2600 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If breathing becomes difficult, call a physician. AFTER SKIN CONTACT In case of skin contact, flush with copious amounts of water for at least 15 minutes. Remove contaminated clothing and shoes. Call a physician. AFTER EYE CONTACT In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or SIGMAwww.molbase.com appropriate foam. SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear protective equipment. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage STORAGE Store at -20°C 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Mechanical exhaust required. PERSONAL PROTECTIVE EQUIPMENT Special Protective Measures: Wear appropriate government approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. 9 - Physical and Chemical Properties pH N/A BP/BP RangeN/A MP/MP Range201,000. - 203,000 ° C. Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A Partition Coefficient N/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A SIGMAwww.molbase.com 10 - Stability and Reactivity STABILITY Stable: Stable. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides, Sulfur oxides. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information ROUTE OF EXPOSURE Multiple Routes: May cause irritation. May be harmful by inhalation, ingestion, or skin absorption. CONDITIONS AGGRAVATED BY EXPOSURE The toxicological properties have not been thoroughly investigated. 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our SIGMAwww.molbase.com knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. SIGMAwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• WGK德国: 3