1141-59-9

• 常用中文名：4-(2-吡啶偶氮)间苯二酚
• 常用英文名：4-(2-Pyridylazo)Resorcinol
• CAS号：1141-59-9
• 分子式：C₁₁H₉N₃O₂
• 分子量：215.208
• 相关类别： 生物化工 生化试剂 酸碱指示剂
• 发布时间：2018-05-16 08:00:00
• 更新时间：2024-01-02 15:12:45
• PAR 是一种偶氮染料,广泛用作金属离子的比色试剂。PAR 与不同的金属离子形成稳定的螯合物。PAR 还能在极性有机溶剂中与重金属离子络合,如乙醇。

名称

• 中文名: 吡啶-(2-偶氮-4)间苯二酚
• 英文名: 4-(2-pyridylazo)resorcinol
• 中文别名: 4-2-吡啶偶氮间苯二酚; 4-(2-吡啶偶氮)间苯二酚(PAR); (PAR)4-(2-吡啶偶氮)间苯二酚; 4-（2-吡啶偶氮）间苯二酚; 4-(2-吡啶基偶氮)间苯二酚; 4-(2-吡啶偶氮)-1,3-苯二酚; 4-(2-吡啶偶氮)间苯二酚
• 英文别名: PAR; 4-(2'-PYRIDYLAZO)-RESORCINOL FOR SYNTHESIS; 4-(2-pyridin-2-yldiazenyl)benzene-1,3-diol; 4-(2-PYRIDYLAZO)-RESORCIN; 4-[(E)-2-Pyridinyldiazenyl]-1,3-benzenediol; 4-[(E)-Pyridin-2-yldiazenyl]benzene-1,3-diol; 1,3-BENZENEDIOL,4-[2-(2-PYRIDINYL)DIAZENYL]-; 4-(Pyridin-2-yldiazenyl)benzene-1,3-diol; 4-(2-PYRIDYLAZO) RESORCINOL; ParIndicatorGr; 4-(2-pyridyldiazenyl)benzene-1,3-diol; resorcinol, 4-(2-pyridylazo)-; (2-PyridylAzo)Resorcinol; P.A.R. Free Acid ACS; 1,3-Benzenediol, 4-[(E)-2-(2-pyridinyl)diazenyl]-; 4-[(E)-2-PYRIDYLAZO]BENZENE-1,3-DIOL; 4-(2-Pyridylazo)reso; MFCD00006256; PAR,REAGENT,ACS; 1,3-Benzenediol, 4-(2-pyridinylazo)-; 4-(2'-PYRIDYLAZO)-RESORCINOL; EINECS 214-528-6; PAR,Reagent; 4-(2-Pyridylazo)Resorcinol

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 438.2±20.0 °C at 760 mmHg
• 熔点: 192-202 °C(lit.)
• 分子式: C₁₁H₉N₃O₂
• 分子量: 215.208
• 闪点: 218.8±21.8 °C
• 精确质量: 215.069473
• PSA: 78.07000
• LogP: 0.95
• 外观性状: 橙色粉末
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.652
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  1.如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

  2.与金属离子形成水溶性或不溶于水的配合物。配合物多数为红色或红紫色。

• 分子结构:

  1、 摩尔折射率：59.00

  2、 摩尔体积（cm³/mol）：161.3

  3、 等张比容（90.2K）：440.0

  4、 表面张力（dyne/cm）: 55.3

  5、 介电常数：无可用

  6、 偶极距（10^-24cm³）：无可用

  7、 极化率：23.39

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.3

  2、 氢键供体数量：2

  3、 氢键受体数量：5

  4、 可旋转化学键数量：2

  5、 互变异构体数量：15

  6、 拓扑分子极性表面积（TPSA）：74.6

  7、 重原子数量：16

  8、 表面电荷：0

  9、 复杂度：371

  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：1

  15、 共价键单元数量：1

• 更多: 1. 性状：橙红色至褐色无定性粉末 2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：187 5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,4mmHg）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºC,0.6mm）：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,20ºC）：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：微溶于水，溶于乙醇和醚，易溶于酸性及碱性水溶液

生物活性

• 描述: PAR 是一种偶氮染料,广泛用作金属离子的比色试剂。PAR 与不同的金属离子形成稳定的螯合物。PAR 还能在极性有机溶剂中与重金属离子络合,如乙醇。
• 相关类别:
  研究领域 >> 其他
• 参考文献:

  [1]. Zhou X, et al. 4-(2-Pyridylazo)-resorcinol Functionalized Thermosensitive Ionic Microgels for Optical Detection of Heavy Metal Ions at Nanomolar Level. ACS Appl Mater Interfaces. 2015 Oct 7;7(39):21966-74.

MSDS

Name: 4-(2-Pyridylazo)Resorcinol 99% (Titr.) Material Safety Data Sheet Synonym: PAR; 1,3-Benzenediol, 4-(2-Pyridinylazo)- CAS: 1141-59-9 Section 1 - Chemical Product MSDS Name:4-(2-Pyridylazo)Resorcinol 99% (Titr.) Material Safety Data Sheet Synonym:PAR; 1,3-Benzenediol, 4-(2-Pyridinylazo)- Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1141-59-9 4-(2-Pyridylazo)Resorcinol 99% 214-528-6 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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: Treat symptomatically and supportively. 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. Extinguishing Media: 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: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Wash clothing before reuse. Storage: 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: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 1141-59-9: 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: Powder Color: orange Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 188 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C11H9N3O2 Molecular Weight: 215.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1141-59-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(2-Pyridylazo)Resorcinol - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 22 Do not breathe dust. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. WGK (Water Danger/Protection) CAS# 1141-59-9: No information available. Canada CAS# 1141-59-9 is listed on Canada's NDSL List. CAS# 1141-59-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1141-59-9 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2933399090

制备

1.将2-氨基吡啶用尽可能少的无水乙醇溶解后与亚硝酸异戊酯混合，然后加入由金属钠与无水乙醇反应得到的醇钠溶液，加热回流2～3h。反应结束后，用冰冷却。再加入间苯二酚的乙醇溶液，通入二氧化碳进行偶合反应，反应完毕后，滤出试剂的二钠盐粗品，用乙醚洗涤，真空干燥后用1∶ 1的乙醇 水溶液重结晶2次，即得纯试剂4-（2-吡啶偶氮）  间苯二酚。主要反应为：

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%