461641-45-2

• 常用中文名：(4-吗啉基苯基甲基)苯并三唑,Bt1和Bt2异构体的混合物
• 常用英文名：4-[benzotriazol-1-yl(phenyl)methyl]morpholine,4-[benzotriazol-2-yl(phenyl)methyl]morpholine
• CAS号：461641-45-2
• 分子式：C₁₇H₁₈N₄O
• 分子量：294.35100
• 发布时间：2018-06-17 07:19:39
• 更新时间：2024-01-06 07:09:45

名称

• 中文名: (4-吗啉基苯甲基)苯并三唑
• 英文名: 4-[benzotriazol-1-yl(phenyl)methyl]morpholine,4-[benzotriazol-2-yl(phenyl)methyl]morpholine
• 英文别名: MFCD01321256

物化性质

• 密度: 1.28g/cm3
• 沸点: 471.6ºC at 760 mmHg
• 熔点: 100-106ºC(lit.)
• 分子式: C₁₇H₁₈N₄O
• 分子量: 294.35100
• 闪点: 239ºC
• 精确质量: 294.14800
• PSA: 43.18000
• LogP: 2.38120
• 折射率: 1.672
• 分子结构:

  1、 摩尔折射率：86.10

  2、 摩尔体积（cm³/mol）：229.7

  3、 等张比容(90.2K)：618.4

  4、 表面张力(dyne/cm)：52.5

  5、 极化率(10-24cm³)：34.13

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:8

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积86.4

  7.重原子数量:44

  8.表面电荷:0

  9.复杂度:695

  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:2

  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:2

MSDS

Version 1.3 Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name(4-MORPHOLINYLPHENYLMETHYL)BENZOTRIAZOLE , 95%, MIXTURE OF BT1 AND BT2 ISOMERS 2 - Hazards Identification SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT Irritating to eyes, respiratory system and skin. 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number (4-MORPHOLINYLPHENYLMETHYL)BENZOTR NoneNoneNone IAZOLE,95%, MIXTURE OF BT1 AND BT2 ISOMERS Ingredient NamePercent CAS #EC noAnnex I Index Number 1-(4-MORPHOLINYLPHENYLMET120803-36-3 NoneNone HYL)BENZOTRIAZOLE 2-(4-MORPHOLINYLPHENYLMETNoneNoneNone HYL)BENZOTRIAZOLE FormulaC17H18N4O Molecular Weight 294,3600 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen. AFTER SKIN CONTACT In case of contact, immediately wash skin with soap and copious amounts of water. AFTER EYE CONTACT ALDRICHwww.molbase.com In case of contact, immediately flush eyes with copious amounts of water for at least 15 minutes. 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 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 respirator, chemical safety goggles, rubber boots, and heavy rubber gloves. 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 HANDLING Directions for Safe Handling: Do not breathe dust. Avoid contact with eyes, skin, and clothing. STORAGE Conditions of Storage: Keep tightly closed. Store in a cool dry place. 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Safety shower and eye bath. Mechanical exhaust required. GENERAL HYGIENE MEASURES Wash thoroughly after handling. Wash contaminated clothing before reuse. PERSONAL PROTECTIVE EQUIPMENT Respiratory Protection: Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Where risk assessment shows air-purifying respirators are appropriate use a dust mask type N95 (US) or type P1 (EN 143) respirator. Hand Protection: Compatible chemical-resistant gloves. Eye Protection: Chemical safety goggles. 9 - Physical and Chemical Properties ALDRICHwww.molbase.com AppearancePhysical State: Solid PropertyValueAt Temperature or Pressure pH N/A BP/BP RangeN/A MP/MP Range100,000. - 106,000 ° 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 10 - Stability and Reactivity STABILITY Materials to Avoid: Strong oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides. 11 - Toxicological Information SIGNS AND SYMPTOMS OF EXPOSURE To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. ROUTE OF EXPOSURE Inhalation: Material is irritating to mucous membranes and upper respiratory tract. Multiple Routes: Causes eye and skin irritation. May be harmful by inhalation, ingestion, or skin absorption. 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 ALDRICHwww.molbase.com 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 CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES INDICATION OF DANGER: Xi Irritant. R-PHRASES: 36/37/38 Irritating to eyes, respiratory system and skin. S-PHRASES: 26-36 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Wear suitable protective clothing. Caution: Substance not yet fully tested (EU). 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 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. ALDRICHwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36