133118-06-6

• 常用中文名：FCLA 自由酸
• 常用英文名：3,7-DIHYDRO-6-[4-[2-[N'-(5-FLUORESCEINYL)THIOUREIDO]ETHOXY]PHENYL]-2-METHYLIMIDAZO[1,2-A]PYRAZIN-3-ONE
• CAS号：133118-06-6
• 分子式：C₃₆H₂₉N₅O₇S
• 分子量：675.710
• 相关类别： 研究领域 其他
• 发布时间：2018-10-12 19:16:46
• 更新时间：2024-04-02 21:10:27
• 化学发光试剂

名称

• 中文名: 3,7-二氢-6-[4-[2-[N’-(5-荧光素)硫脲基]乙氧基]苯基]-2-甲基咪唑[1.2-A]并吡嗪-3-酮
• 英文名: 3,7-Dihydro-6-[4-[2-[N-(5-Fluoresceinyl)Thioureido]Ethoxy]Phenyl]-2-Methylimidazo[1,2-a]Pyrazin-3-One
• 中文别名: 3,7-二氢-6-[4-[2-[N'-(5-荧光素)硫脲基]乙氧基]苯基]-2-甲基咪唑[1.2-A]并吡嗪-3-酮; 3,7-二氢-6-[4-[2-[N'-(5-荧光素)硫脲基]乙氧基]苯基]-2-甲基咪唑[1.2-A]并吡嗪-3-酮[化学发光试剂]; 3,7-二氢-6-[4-[2-[N'-(5-荧光素)硫脲基]乙氧基]苯基]-2-甲基咪唑[1.2-a]并吡嗪-3-酮; FCLA 自由酸[化学发光试剂]
• 英文别名: 2-[3,6-Dihydroxy-4-([imino(sulfanyl)methyl]{2-[4-(2-methyl-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-6-yl)phenoxy]ethyl}amino)-9H-xanthen-9-yl]benzoic acid; Benzoic acid, 2-[4-[(aminothioxomethyl)[2-[4-(3,7-dihydro-2-methyl-3-oxoimidazo[1,2-a]pyrazin-6-yl)phenoxy]ethyl]amino]-3,6-dihydroxy-9H-xanthen-9-yl]-; Benzoic acid, 2-[4-[[2-[4-(3,7-dihydro-2-methyl-3-oxoimidazo[1,2-a]pyrazin-6-yl)phenoxy]ethyl](iminomercaptomethyl)amino]-3,6-dihydroxy-9H-xanthen-9-yl]-; 2-[4-(Carbamothioyl{2-[4-(2-methyl-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-6-yl)phenoxy]ethyl}amino)-3,6-dihydroxy-9H-xanthen-9-yl]benzoic acid; FCLA Free Acid; 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[2-[4-(2-methyl-3-oxo-7H-imidazo[1,2-a]pyrazin-6-yl)phenoxy]ethylcarbamothioylamino]benzoic acid

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 853.8±75.0 °C at 760 mmHg
• 分子式: C₃₆H₂₉N₅O₇S
• 分子量: 675.710
• 闪点: 470.2±37.1 °C
• 精确质量: 675.178772
• PSA: 207.73000
• LogP: 1.69
• 蒸汽压: 0.0±0.3 mmHg at 25°C
• 折射率: 1.745
• 储存条件:

  密封、冷藏保存

• 分子结构:

  1、摩尔折射率：180.73

  2、摩尔体积（cm³/mol）：445.9

  3、等张比容（90.2K）：1263.6

  4、表面张力（dyne/cm）：64.4

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：71.64

  7、单一同位素质量：675.178768 Da

  8、标称质量：675 Da

  9、平均质量：675.7098 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.4

  2.氢键供体数量:5

  3.氢键受体数量:10

  4.可旋转化学键数量:8

  5.互变异构体数量:114

  6.拓扑分子极性表面积194

  7.重原子数量:49

  8.表面电荷:0

  9.复杂度:1590

  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,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,KPa）：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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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

生物活性

• 描述: FCLA游离酸是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。
• 相关类别:
  研究领域 >> 其他

MSDS

Section I.Chemical Product and Company Identification Chemical NameFCLA, Free Acid, [Chemiluminescence Reagent] Portland OR SynonymThiourea, N-[2-[4-(3,7-dihydro-2-methyl-3-oxoimidazo[1,2-a]pyrazin- 6-yl)phenoxy]ethyl]-N'-(3',6'-dihydroxy-3- oxospiro[isobenzofuran-1(3H), 9'-[9H]xanthen]-5-yl)- (9CI) Chemical FormulaC36H27N5O7S CAS Number133118-06-6 Section II.Composition and Information on Ingredients Toxicology Data Chemical NameCAS Number Percent (%)TLV/PEL Min. 90.0 Not available.Not available. FCLA, Free Acid,133118-06-6 [Chemiluminescence Reagent] (Tit.) Section III. Hazards Identification Acute Health EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However, exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this compound. Chronic Health EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Section V.Fire and Explosion Data Not available. FlammabilityMay be combustible at high temperature.Auto-Ignition Flash PointsFlammable Limits Not available.Not available. Combustion Products These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), sulfur oxides (SOx). Fire Hazards Not available. Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting Media SMALL FIRE: Use DRY chemical powder. LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. and Instructions Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page FCLA, Free Acid, [Chemiluminescence Reagent] Section VI.Accidental Release Measures Spill Cleanup Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on Instructions disposal. Section VII. Handling and Storage REFRIGERATE. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and Handling and Storage store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal ProtectionSplash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Exposure LimitsNot available. Section IX. Physical and Chemical Properties Solubility Physical state @ 20°CSolid. (Reddish-Yellow Powder.)Very slightly soluble in water. Not available. Specific Gravity Molecular Weight673.69Partition CoefficientNot available. Boiling PointNot available.Vapor PressureNot applicable. Melting Point228°C (442.4°F) (Decomp.)Vapor DensityNot available. Not available.VolatilityNot available. Refractive Index Critical TemperatureOdorNot available. Not available. Not available.Not available. ViscosityTaste Section X.Stability and Reactivity Data This material is stable if stored under proper conditions. (See Section VII for instructions) Stability Conditions of Instability Avoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberNot available. Routes of ExposureEye Contact. Ingestion. Inhalation. Not available. Toxicity Data Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. No specific information is available in our data base regarding the toxic effects of this material for humans. However, Acute Toxic Effects exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this compound. Continued on Next Page FCLA, Free Acid, [Chemiluminescence Reagent] Section XII.Ecological Information EcotoxicityNot available. Environmental FateNot available. Section XIII. Disposal Considerations Waste DisposalRecycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section XIV. Transport Information DOT ClassificationNot a DOT controlled material (United States). PIN NumberNot applicable. Proper Shipping Name Not applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those products not on the inventory list: (EPA) (i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in 40 CFR 720.0 et sec. (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on an MSDS sheet. WHMIS ClassificationNot available. (Canada) EINECS Number (EEC) Not available. EEC Risk StatementsNot available. SECTION 16 - ADDITIONAL INFORMATION N/A