491-45-2

• 常用中文名：藤黄盐
• 常用英文名：Phloroglucide
• CAS号：491-45-2
• 分子式：C₁₂H₁₀O₅
• 分子量：234.20500
• 相关类别： 研究领域 其他
• 发布时间：2018-02-14 08:00:00
• 更新时间：2024-01-09 08:53:10
• Phloroglucide 是一种可以从蕨类植物中分离出来的天然产物。

名称

• 中文名: 藤黄盐
• 英文名: Phloroglucide
• 中文别名: 2,3',4,5',6-五羟基联苯; 2,4,6,3',5'-联苯五酚
• 英文别名: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol; Biphenyl-2,3',4,5',6-pentaol; Phloroglucide; Phloroglucide hydrate; MFCD00044547; 2,4,6,3',5'-Biphenylpentol; Phloroglucinol Impurity 4

物化性质

• 密度: 1.594g/cm3
• 沸点: 529.5ºC at 760 mmHg
• 熔点: 216-218 ºC (water )
• 分子式: C₁₂H₁₀O₅
• 分子量: 234.20500
• 闪点: 268.1ºC
• 精确质量: 234.05300
• PSA: 101.15000
• LogP: 1.88160
• 外观性状: 浅棕色粉末
• 蒸汽压: 7.91E-12mmHg at 25°C
• 折射率: 1.756
• 储存条件:

  密封保存，放置在通风，干燥，黑暗的环境中

• 稳定性:

  按规格使用和贮存，不会发生分解，避免与氧化物接触

• 水溶解性: Slightly soluble (3.5 g/L) (25 ºC)
• 分子结构:

  1、 摩尔折射率：60.25

  2、 摩尔体积（m³/mol）：146.8

  3、 等张比容（90.2K）：455.6

  4、 表面张力（dyne/cm）：92.6

  5、 极化率（10 ^-24cm ³）：23.88

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:5

  3.氢键受体数量:5

  4.可旋转化学键数量:1

  5.互变异构体数量:75

  6.拓扑分子极性表面积101

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:237

  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/ m³,25/4℃）：未确定

  3. 相对蒸汽密度（g/cm³,空气=1）：未确定

  4. 熔点（ºC）：300

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：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）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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: Phloroglucide 是一种可以从蕨类植物中分离出来的天然产物。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 参考文献:

  [1]. Harada, et al. Pharmaceutical Studies on Ferns. III. YAKUGAKU ZASSHI, 72(1), 153–154.

MSDS

Name: Phloroglucide 95+% Material Safety Data Sheet Synonym: PHB CAS: 491-45-2 Section 1 - Chemical Product MSDS Name:Phloroglucide 95+% Material Safety Data Sheet Synonym:PHB Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 491-45-2 Phloroglucide 95+ unlisted 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.Hygroscopic (absorbs moisture from the air).Light sensitive. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. 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: Not available. 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. Skin: Get medical aid if irritation develops or persists. Flush skin with plenty of soap and water. 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. Inhalation: Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Dark room. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 491-45-2: 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: slightly brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 300 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C12H10O5 Molecular Weight: 234.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. May discolor on exposure to light. Conditions to Avoid: Incompatible materials, light, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 491-45-2 unlisted. LD50/LC50: Not available. Carcinogenicity: Phloroglucide - 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. WGK (Water Danger/Protection) CAS# 491-45-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 491-45-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 491-45-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 24/25
• 海关编码: 2906299090

合成路线

108-73-6 ~75% 491-45-2

文献：Briggs, Malcolm T.; Duncan, Graham L. S.; Thornber, Craig W. Journal of Chemical Research, Miniprint, 1982 , # 9 p. 2461 - 2487

716306-63-7 ~% 491-45-2

文献：Pollak; Gebauer-Fuelnegg Monatshefte fuer Chemie, 1926 , vol. 47, p. 549

108-73-6 10034-85-2 ~% 491-45-2

文献：Hlasiwetz Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1865 , p. 594 Journal fuer Praktische Chemie (Leipzig), 1866 , vol. <1> 97, p. 156 Full Text Show Details Herzig; Pollak Monatshefte fuer Chemie, 1894 , vol. 15, p. 701,703

7647-01-0 108-73-6 ~% 491-45-2

文献：Hlasiwetz Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1865 , p. 594 Journal fuer Praktische Chemie (Leipzig), 1866 , vol. <1> 97, p. 156 Full Text Show Details Herzig; Pollak Monatshefte fuer Chemie, 1894 , vol. 15, p. 701,703

64-18-6 108-73-6 ~% 491-45-2

文献：Cross; Bevan Journal of the Chemical Society, 1911 , vol. 99, p. 1455

108-73-6 10025-87-3 ~% 491-45-2

文献：Schiff,H. Justus Liebigs Annalen der Chemie, 1874 , vol. 172, p. 358

7647-01-0 716306-63-7 ~% 108-73-6 491-45-2

文献：Pollak; Gebauer-Fuelnegg Monatshefte fuer Chemie, 1926 , vol. 47, p. 549

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108-73-6 716306-63-7 10034-85-2 7647-01-0
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海关

海关编码	2906299090
中文概述	2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%