116-95-0

• 常用中文名：酸性蓝
• 常用英文名：patent blue violet
• CAS号：116-95-0
• 分子式：C₂₇H₃₁N₂NaO₆S₂
• 分子量：566.665
• 相关类别： 染料及颜料 染料 酸性染料
• 发布时间：2018-04-10 08:00:00
• 更新时间：2024-01-02 19:39:20
• C.I.酸性蓝1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。

名称

• 中文名: 酸性蓝 1
• 英文名: Acid Blue 1
• 中文别名: 酸性蓝; 酸性兰
• 英文别名: Brilliant Acid Blue; Azure Blue VX; Sodium 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}benzene-1,3-disulfonate; EINECS 204-934-1; ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, monosodium salt; Natrium-4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-yliden]methyl}benzol-1,3-disulfonat; MFCD00012119; Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1); patent blue violet; Carmine Blue V; Patent Blue V; 4-{[4-(diéthylamino)phényl][4-(diéthyliminio)cyclohexa-2,5-dién-1-ylidène]méthyl}benzène-1,3-disulfonate de sodium; ACID BLUE 1; Sodium 4-{[4-(diethylamino)phenyl][4-(diethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-1,3-benzenedisulfonate; Alphazurine G; Xylene Blue

物化性质

• 分子式: C₂₇H₃₁N₂NaO₆S₂
• 分子量: 566.665
• 精确质量: 566.152100
• PSA: 137.41000
• LogP: 5.92380
• 外观性状: 固体;Yellow to Brown to Dark green powder to crystal
• 储存条件: 室温
• 水溶解性: 水溶性：可溶
• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.5

  2、 氢键供体数量：1

  3、 氢键受体数量：7

  4、 可旋转化学键数量：8

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：118

  7、 重原子数量：37

  8、 表面电荷：0

  9、 复杂度：1050

  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：深蓝色粉末。

  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（mmHg, ºC）：未确定

  12. 饱和蒸气压（kPa, ºC）：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：极易溶解于冷水和热水呈蓝色，溶于酒精呈蓝色。遇浓硫酸呈芥末黄色，稀释后呈金黄色。

生物活性

• 描述: C.I.酸性蓝1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 Name Acid Blue 1 Portland OR SynonymEthanaminium, N-[4-[[4-(diethylamino)phenyl](2,4- disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene] -N-ethyl-, inner salt (CA INDEX NAME); CI# 42045; Alphazurine G; Azure Blue VX; Brilliant Acid Blue; Carmine Blue V; Patent Blue V; Xylene Blue; C27H32N2O6S2 Chemical Formula 116-95-0 CAS Number Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data Acid Blue 1116-95-0Min. 95.0This chemical is classified as aRat LD50 (intravenous) 5 gm/kg (HPLC)carcinogen. There is noMouse LD50 (intraperitoneal) 3 acceptable exposure limit for agm/kg carcinogen.Mouse LD50 (intravenous) 1200 mg/kg 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. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. CARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria. Chronic Health Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Tumorigenic Effects. Rat TDLo Intramuscular 2070 mg/kg/50 weeks intermittent TOXIC Effects: Tumorigenic - Carcinogenic by RTECS criteria Blood - Lymphomas including Hodgkin's disease Tumorigenic - Tumors at site of application Rat TDLo Subcutaneous 3000 mg/kg/33 weeks intermittent TOXIC Effects: Tumorigenic - Neoplastic by RTECS criteria Tumorigenic - Tumors at site of application Rat TD Subcutaneous 4050 mg/kg/45 weeks intermittent TOXIC Effects: Tumorigenic - Equivocal tumorigenic agent by RTECS criteria Tumorigenic - Tumors at site of application 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. INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Ingestion 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. Continued on Next Page Acid Blue 1 Section V.Fire and Explosion Data Not available. FlammabilityMay be combustible at high temperature.Auto-Ignition Flammable LimitsNot available. Flash PointsNot available. Combustion ProductsThese products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), sulfur oxides (SO2, SO3...). Fire Hazards Not available. Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards 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. Section VI.Accidental Release Measures Carcinogenic material. Spill Cleanup Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any Instructions contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage Handling and StorageCARCINOGEN. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust. Information 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 LimitsThis chemical is classified as a carcinogen. There is no acceptable exposure limit for a carcinogen. Section IX. Physical and Chemical Properties Physical state @ 20°CSolid. (Greenish-yellow ~ dark green,SolubilitySoluble in water. crystalline powder) Not available. Specific Gravity 544.68 Molecular WeightPartition CoefficientNot available. Boiling PointNot available.Vapor PressureNot applicable. Not available.Not available. Melting PointVapor Density Not available.VolatilityNot available. Refractive Index Not available.Not available. Critical TemperatureOdor ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data This material is stable if stored under proper conditions. (See Section VII for instructions) Stability Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with strong oxidizing agents. Section XI. Toxicological Information BP6830000 RTECS Number Routes of ExposureEye Contact. Ingestion. Inhalation. Rat LD50 (intravenous) 5 gm/kg Toxicity Data Mouse LD50 (intraperitoneal) 3 gm/kg Mouse LD50 (intravenous) 1200 mg/kg Continued on Next Page Acid Blue 1 Chronic Toxic EffectsCARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Tumorigenic Effects. Rat TDLo Intramuscular 2070 mg/kg/50 weeks intermittent TOXIC Effects: Tumorigenic - Carcinogenic by RTECS criteria Blood - Lymphomas including Hodgkin's disease Tumorigenic - Tumors at site of application Rat TDLo Subcutaneous 3000 mg/kg/33 weeks intermittent TOXIC Effects: Tumorigenic - Neoplastic by RTECS criteria Tumorigenic - Tumors at site of application Rat TD Subcutaneous 4050 mg/kg/45 weeks intermittent TOXIC Effects: Tumorigenic - Equivocal tumorigenic agent by RTECS criteria Tumorigenic - Tumors at site of application DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic 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. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Section XII.Ecological Information Not available. Ecotoxicity C.I. Acid Blue 1's production and use as a dye, a biological stain and to color medicinal products may result in its release to Environmental Fate the environment through various waste streams. The ionic state of C.I. Acid Blue 1 makes this compound essentially non-volatile, therefore C.I. Acid Blue 1 should exist solely in the particulate phase in the ambient atmosphere. Particulate-phase C.I. Acid Blue 1 may be physically removed from the air, mainly by wet deposition. An estimated Koc of 15 suggests that C.I. Acid Blue 1will have very high mobility in soil although its ionic nature may result in ion-exchange processes with clay that would retard leaching. The volatilization of the dye from moist soil surfaces to air will not be important as C.I. Acid Blue 1 is an ionic compound. It may adsorb to clay sediments and particulate matter in the water due to ion-exchange processes. The loss of the dye from water surfaces by volatilization should not be important due to its ionic nature. The potential for bioconcentration in aquatic organisms should be low based on an estimated BCF value of 2. Occupational exposure may be through inhalation of dusts and dermal contact with this compound at workplaces where C.I. Acid Blue 1 is produced or used. The general population may be exposed to C.I. Acid Blue 1 via ingestion of pharmaceuticals and dermal contact with products containing C.I. Acid Blue 1. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal 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 NameNot 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 ClassificationCLASS D-2A: Material causing other toxic effects (VERY TOXIC). (Canada) EINECS Number (EEC) 204-165-1 EEC Risk StatementsR45- May cause cancer. Japanese Regulatory Data ENCS No. 5-1630 Continued on Next Page SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 安全声明 (欧洲): 24/25
• WGK德国: 3
• 海关编码: 3204120000

制备

苯甲醛-2,4-双磺酸与N,N-二乙基苯胺缩合再经盐析而得。原料消耗(kg、t)N,N-二乙基苯胺 351 碳酸钠(98%) 147硫酸(100%) 359 盐酸(31%) 11尿素 14 元明粉 1360重铬酸纳 63 精盐2308

海关

海关编码	3204120000