133-11-9

• 常用中文名：非那米柳
• 常用英文名：fenamisal
• CAS号：133-11-9
• 分子式：C₁₃H₁₁NO₃
• 分子量：229.231
• 发布时间：2018-09-14 22:53:00
• 更新时间：2024-01-02 12:35:38

名称

• 中文名: 非那米柳
• 英文名: Phenyl-4-aminosalicylate
• 中文别名: 4-氨基水杨酸苯酯; 非那米沙
• 英文别名: Phenyl-PAS-Tebamin; phenyl 4-aminosalicylate; Tebanyl; Phenyl-4-aminosalicy; EINECS 205-092-8; fenamisal; Phenyl aminosalicylate; Pheny-Pas-Tebamin; 4-Amino-2-hydroxy-benzoesaeure-phenylester; Phenyl p-Aminosalicylic Acid; phenyl-p-aminosalicylate; MFCD00007788; p-Aminosalol; Tebamin; Phenyl PAS; 4-amino-2-hydroxy-benzoic acid phenyl ester; Salicylic acid, 4-amino-, phenyl ester (8CI); 4-amino-2-hydroxybenzoic acid phenyl ester; Benzoic acid, 4-amino-2-hydroxy-, phenyl ester; UNII-52936SIP7V; p-Aminosalicylic Acid Phenyl Ester; Phenyl 4-amino-2-hydroxybenzoate

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 406.4±30.0 °C at 760 mmHg
• 熔点: 150-152 °C(lit.)
• 分子式: C₁₃H₁₁NO₃
• 分子量: 229.231
• 闪点: 199.6±24.6 °C
• 精确质量: 229.073898
• PSA: 72.55000
• LogP: 2.95
• 外观性状: 白色
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.659
• 分子结构:

  1、 摩尔折射率：64.01

  2、 摩尔体积（cm³/mol）：173.5

  3、 等张比容（90.2K）：485.5

  4、 表面张力（dyne/cm）：61.2

  5、 极化率（10-24cm3）：25.37

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:12

  6.拓扑分子极性表面积72.6

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:263

  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

MSDS

Name: Phenyl 4-Aminosalicylate 99% Material Safety Data Sheet Synonym: Phenyl PAS; 4-Amino-2-Hydroxybenzoic Acid Phenyl Ester CAS: 133-11-9 Section 1 - Chemical Product MSDS Name:Phenyl 4-Aminosalicylate 99% Material Safety Data Sheet Synonym:Phenyl PAS; 4-Amino-2-Hydroxybenzoic Acid Phenyl Ester Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 133-11-9 Phenyl 4-Aminosalicylate 99% 205-092-8 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. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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 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: 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: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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. Runoff from fire control or dilution water may cause pollution. 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: 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. 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: 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# 133-11-9: 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 minimize contact with skin. 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 150.00 - 152.00 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: 0.7mg/100ml Specific Gravity/Density: Molecular Formula: C13H11NO3 Molecular Weight: 229.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Acid anhydrides, acid chlorides, acids, chloroformates, oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 133-11-9 unlisted. LD50/LC50: Not available. Carcinogenicity: Phenyl 4-Aminosalicylate - 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 133-11-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 133-11-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 133-11-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• WGK德国: 3
• 海关编码: 2922509090

合成路线

62350-74-7 ~% 133-11-9

文献：Magyar kem. LapjaChem.Abstr., , vol. 4, p. 596,601 Magyar kem. LapjaChem.Abstr., , p. 116

619-19-2 ~% 133-11-9

文献：Zhurnal Obshchei Khimii, , vol. 22, p. 2014,2016; engl. Ausg. S. 2069, 2070

108-95-2 ~% 133-11-9

文献：Magyar kem. LapjaChem.Abstr., , vol. 4, p. 596,601 Magyar kem. LapjaChem.Abstr., , p. 116

93316-89-3 ~% 133-11-9

文献：Journal of the American Chemical Society, , vol. 74, p. 2589,2591

37987-05-6 ~% 133-11-9

文献：Journal of the American Chemical Society, , vol. 74, p. 2589,2591

65-49-6 108-95-2 ~% 133-11-9

文献：US2829154 , ;

117869-04-2 108-95-2 ~% 133-11-9

文献：US2763678 , ; DE951215 , ;

39614-82-9 ~% 133-11-9

文献：Magyar kem. LapjaChem.Abstr., , vol. 4, p. 596,601 Magyar kem. LapjaChem.Abstr., , p. 116

上下游产品

上游产品  7
62350-74-7 619-19-2 108-95-2 37987-05-6
65-49-6 117869-04-2 39614-82-9
下游产品  0

海关

海关编码	2922509090
中文概述	2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary	2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%