2103-64-2

• 常用中文名：茜素紫
• 常用英文名：Gallein
• CAS号：2103-64-2
• 分子式：C₂₀H₁₂O₇
• 分子量：364.30500
• 相关类别： 生物化工 生化试剂 生物染料
• 发布时间：2018-06-14 21:56:08
• 更新时间：2024-01-08 15:53:48
• Gallein 是一种 G 蛋白 βγ (Gβγ) 亚基信号抑制剂。Gallein 干扰 Gβγ 亚基与 PI3Kγ 的相互作用。具有抗肿瘤活性。Gallein 用作红色染料,酸碱指示剂和磷酸盐的检测试剂。

名称

• 中文名: 茜素紫
• 英文名: Gallein
• 中文别名: 连苯三酚酞; 焦酚酞单水合物; 媒介紫 25; 4,5-二羟基荧光黄
• 英文别名: MORDANT VIOLET 25; Alizarin violet; ANTHRACENE VIOLET; ALIZARIN VIOLET; (4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid; 4',5'-dihydroxyfluorescein; GALLIEN; 3',4',5',6'-tetrahydroxy-spiro[phthalan-1,9'-xanthen]-3-one; Alizarinvio-letGBS; 3',4',5',6'-tetrahydroxyspiro(isobenzofuran-1(3H),9'-[9H]xanthene)-3-one; SM-21 maleate; 3',4',5',6'-Tetrahydroxy-spiro[phthalan-1,9'-xanthen]-3-on; Callein; Mordant Violet 25; pyrogallophthalein; 3',4',5',6'-Tetrahydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one; EINECS 218-272-6

物化性质

• 密度: 1.81g/cm3
• 沸点: 687.4ºC at 760mmHg
• 熔点: >300°C
• 分子式: C₂₀H₁₂O₇
• 分子量: 364.30500
• 闪点: 255.2ºC
• 精确质量: 364.05800
• PSA: 116.45000
• LogP: 3.07700
• 外观性状: 固体;Amber to Dark purple to Black powder to crystal
• 蒸汽压: 1.57E-19mmHg at 25°C
• 折射率: 1.865
• 储存条件: 2-8°C
• 稳定性:

  1.含1.5分子结晶水者为棕红色结晶或粉末。不含结晶水是为绿黄色。约在180℃时失去结晶水，在180℃以上变黑，到300℃时也不熔化。溶于醇、丙酮及稀碱溶液，微溶于乙醚，几乎不溶于水，苯和氯仿。在强酸介质中呈现黄色，在微酸性中呈玫瑰红色，中性介质中呈淡紫色，在强碱性介质中呈紫色再为黄色。

• 水溶解性: Solubility Almost insoluble in water, benzene, chloroform; soluble in ethanol, acetone
• 分子结构:

  1、 摩尔折射率：91.05

  2、 摩尔体积（cm³/mol）：201.1

  3、 等张比容（90.2K）：670.0

  4、 表面张力（dyne/cm）：123.1

  5、 极化率（10^-24cm³）：36.09

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  2.氢键供体数量:4

  3.氢键受体数量:7

  4.可旋转化学键数量:0

  5.互变异构体数量:27

  6.拓扑分子极性表面积116

  7.重原子数量:27

  8.表面电荷:0

  9.复杂度:579

  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：棕红色结晶或粉末

  2. 密度（g/mL,20ºC）：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,12mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）:未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：

  11. 蒸气压（kPa,0ºC）：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：溶于醇、丙酮及稀碱溶液，微溶于乙醚，几乎不溶于水，苯和氯仿

生物活性

• 描述: Gallein 是一种 G 蛋白 βγ (Gβγ) 亚基信号抑制剂。Gallein 干扰 Gβγ 亚基与 PI3Kγ 的相互作用。具有抗肿瘤活性。Gallein 用作红色染料,酸碱指示剂和磷酸盐的检测试剂。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Sanz G, et al. Gallein, a Gβγ subunit signalling inhibitor, inhibits metastatic spread of tumour cells expressing OR51E2 and exposed to its odorant ligand. BMC Res Notes. 2017 Oct 30;10(1):541.

  [2]. Lillie RD, et al. Hematoxylin substitutes: gallein as a biological stain. Stain Technol. 1974 Nov;49(6):339-46.

MSDS

Name: Gallein 1-Hydrate Material Safety Data Sheet Synonym: None CAS: 2103-64-2 Section 1 - Chemical Product MSDS Name:Gallein 1-Hydrate Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2103-64-2 Spiroisobenzofuran-1(3h),9'-9hxanthen- 100 218-272-6 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2103-64-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C20H12O7.H2O Molecular Weight: 382.32 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2103-64-2 unlisted. LD50/LC50: Not available. Carcinogenicity: Spiroisobenzofuran-1(3h),9'-9hxanthen-3-one,3',4',5',6'-tetr - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 2103-64-2: No information available. Canada CAS# 2103-64-2 is listed on Canada's DSL List. CAS# 2103-64-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2103-64-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn
• 海关编码: 2932999099

上下游产品

上游产品  4
85-44-9 87-66-1 108-46-3 149-91-7
下游产品  6
122335-84-6 54750-05-9 144-62-7 88-99-3
99420-08-3 65-85-0

制备

由连苯三酚与苯酐反应而得。将148g苯酐和126g连苯三酚缓缓加热，液化后搅拌下继续升温至190-200℃，4-5h后，反应物浓渐变稠直至无法搅拌时为止。冷却后用热水洗涤产物，加10%氢氧化铵溶液溶解，滤去不溶物。滤液用盐酸酸化，析出棕色沉淀。过滤，温水洗涤。再用氨水重结晶操作一次得到约100g成品。

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%