94442-10-1

• 常用中文名：邻甲酚酞络合酮二钠盐
• 常用英文名：sodium,2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]methyl]benzoate
• CAS号：94442-10-1
• 分子式：C₃₂H₃₀N₂Na₂O₁₂
• 分子量：680.56600
• 发布时间：2018-03-16 08:00:00
• 更新时间：2024-01-09 14:44:07
• 下载msds

名称

• 中文名: 邻甲酚酞络合酮二钠盐
• 英文名: sodium,2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]methyl]benzoate
• 中文别名: 邻甲酚酞络合酮
• 英文别名: o-Cresolphthalein complexone disodium salt; Disodium dihydrogen N,N'-((3-oxo-(3H)-isobenzofuran-1-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxylatomethyl)glycinate); EINECS 305-335-9; MFCD00148977

物化性质

• 沸点: 949.5ºC at 760mmHg
• 分子式: C₃₂H₃₀N₂Na₂O₁₂
• 分子量: 680.56600
• 闪点: 528ºC
• 精确质量: 680.15900
• PSA: 228.10000
• 外观性状: 固体
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:5

  3.氢键受体数量:14

  4.可旋转化学键数量:15

  5.互变异构体数量:4

  6.拓扑分子极性表面积233

  7.重原子数量:47

  8.表面电荷:0

  9.复杂度:1290

  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:1

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

MSDS

Section 1. Chemical Product and Company Identification o-Cresolphthalein complexone disodium Catalog CR113 Common Name/ Number(s). Trade Name salt CAS#94442-10-1 Manufacturer RTECSNot available. SPECTRUM CHEMICAL MFG. CORP. TSCATSCA 8(b) inventory: o-Cresolphthalein complexone disodium salt Commercial Name(s)Not available. CI#Not available. SynonymNot available. IN CASE OF EMERGENCY Chemical Name Chemical FamilyNot available.CALL (310) 516-8000 C32H30N2O12Na2 Chemical Formula SPECTRUM CHEMICAL MFG. CORP. Section 2.Composition and Information on Ingredients Exposure Limits TWA (mg/m3)STEL (mg/m3) CEIL (mg/m3) NameCAS #% by Weight 1) {o-}Cresolphthalein complexone disodium salt94442-10-1100 Toxicological DataNot applicable. on Ingredients Section 3. Hazards Identification Potential Acute Health Effects Hazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation. Potential Chronic HealthHazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation. Effects CARCINOGENIC EFFECTS: Not available. MUTAGENIC EFFECTS: Not available. TERATOGENIC EFFECTS: Not available. DEVELOPMENTAL TOXICITY: Not available. o-Cresolphthalein complexone disodium salt Section 4. First Aid Measures Eye ContactNo known effect on eye contact, rinse with water for a few minutes. Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. If irritation persists, seek medical attention. Wash contaminated clothing before reusing. Serious Skin ContactNot available. InhalationAllow the victim to rest in a well ventilated area. Seek immediate medical attention. Serious InhalationNot available. IngestionDo not induce vomiting. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Seek immediate medical attention. Serious IngestionNot available. Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature Not available. Flash PointsNot available. Flammable LimitsNot available. Products of CombustionThese products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...). Some metallic oxides. Fire Hazards in Presence of Not available. Various Substances Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available. of Various SubstancesRisks of explosion of the product in presence of static discharge: Not available. Fire Fighting MediaSMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. Special Remarks onNot available. Fire Hazards Special Remarks on Explosion Not available. Hazards Section 6. Accidental Release Measures Small SpillUse appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading water on the contaminated surface and dispose of according to local and regional authority requirements. Large SpillUse a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on the contaminated surface and allow to evacuate through the sanitary system. o-Cresolphthalein complexone disodium salt Section 7. Handling and Storage PrecautionsKeep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the residue under a fume hood. Ground all equipment containing material. Do not breathe dust. StorageKeep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat and away from strong oxidizing agents. Section 8. 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 ProtectionSafety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves. Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used a Large Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Physical state and appearance Solid.OdorNot available. TasteNot available. 680.57 g/mole Molecular Weight ColorNot available. pH (1% soln/water)Not available. Boiling PointNot available. Melting PointDecomposes. Critical TemperatureNot available. Specific GravityNot available. Not applicable. Vapor Pressure Vapor DensityNot available. VolatilityNot available. Odor ThresholdNot available. Water/Oil Dist. Coeff.Not available. Not available. Ionicity (in Water) Dispersion PropertiesNot available. Not available. Solubility Section 10. Stability and Reactivity Data The product is stable. Stability Instability TemperatureNot available. Not available. Conditions of Instability Incompatibility with variousNot available. substances CorrosivityNon-corrosive in presence of glass. o-Cresolphthalein complexone disodium salt Not available. Special Remarks on Reactivity Special Remarks onNot available. Corrosivity No. Polymerization Section 11. Toxicological Information Routes of EntryIngestion. Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans Not available. Other Toxic Effects onHazardous in case of ingestion. HumansSlightly hazardous in case of skin contact (irritant), of inhalation. Special Remarks onNot available. Toxicity to Animals Special Remarks onNot available. Chronic Effects on Humans Special Remarks on otherNot available. Toxic Effects on Humans Section 12. Ecological Information EcotoxicityNot available. BOD5 and CODNot available. Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation products may arise. Toxicity of the ProductsThe products of degradation are more toxic. of Biodegradation Special Remarks on theNot available. Products of Biodegradation Section 13. Disposal Considerations Waste Disposal Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). IdentificationNot applicable. Special Provisions forNot applicable. Transport DOT (Pictograms) o-Cresolphthalein complexone disodium salt Section 15. Other Regulatory Information and Pictograms Federal and StateTSCA 8(b) inventory: o-Cresolphthalein complexone disodium salt Regulations California Proposition 65 Warnings Other RegulationsNot available.. WHMIS (Canada) Not controlled under WHMIS (Canada). Other Classifications DSCL (EEC)This product is not classified according to the EU regulations. Health Hazard HMIS (U.S.A.)1 National Fire Protection 1 Flammability 1 Association (U.S.A.) Fire Hazard 1 0 Reactivity Health Reactivity 0 Specific hazard Personal Protection E WHMIS (Canada) (Pictograms) DSCL (Europe) (Pictograms) TDG (Canada) (Pictograms) ADR (Europe) (Pictograms) Protective Equipment Gloves. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Safety glasses. o-Cresolphthalein complexone disodium SECTION 16 - ADDITIONAL INFORMATION N/A