596-01-0

• 常用中文名：α-萘酚酞指示剂
• 常用英文名：alpha-Naphtholphthalein
• CAS号：596-01-0
• 分子式：C₂₈H₁₈O₄
• 分子量：418.44000
• 相关类别： 生物化工 生化试剂 酸碱指示剂
• 发布时间：2018-09-29 13:04:34
• 更新时间：2024-01-02 15:53:57
• 【用途一】
  用作酸碱指示剂，PH值6.7左右时为无色～桔黄色，PH值7.9左右时由橘黄变为蓝色。市售品中含杂质者多呈淡红色，于PH值7.3～8.7时由淡红色变为蓝绿色。

名称

• 中文名: 1-萘酚酞
• 英文名: alpha-Naphtholphthalein
• 中文别名: 3,3'-双(4-羟基-1-萘基)-1(3H)-异苯并呋喃酮; α-萘酚酞; 甲萘酚酞; α-萘酚酞,1-萘酚夫酞,3,3-双(4-羟基-1-萘基)苯酞; 3,3-双(4-羟基-1-萘基)苯酞
• 英文别名: 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one; MFCD00036202; EINECS 209-875-5

物化性质

• 密度: 1.404 g/cm3
• 沸点: 705.6ºC at 760 mmHg
• 熔点: 238-240 °C(lit.)
• 分子式: C₂₈H₁₈O₄
• 分子量: 418.44000
• 闪点: 247ºC
• 精确质量: 418.12100
• PSA: 66.76000
• LogP: 5.86650
• 外观性状: 灰色至棕色固体
• 折射率: 1.769
• 储存条件:

  储存于阴凉干燥处。

• 稳定性:

  1.碱溶液呈蓝色，溶于浓硫酸呈绿色。

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：123.79

  2、 摩尔体积（cm³/mol）：297.9

  3、 等张比容（90.2K）：862.1

  4、 表面张力（dyne/cm）：70.1

  5、 极化率（10^-24cm³）：49.07

• 计算化学:

  1.疏水参数计算参考值（XlogP）:6.3

  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:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积66.8

  7.重原子数量:32

  8.表面电荷:0

  9.复杂度:668

  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: 物性数据： 1. 性状：几乎无色的结晶

  2. 熔点（℃）：253～255℃

  3. 溶解性：易溶于乙醇、甲醇、醚、苯乙酸和苯，不溶于水

MSDS

Name: alpha-Naphtholphthalein indicator Material Safety Data Sheet Synonym: CAS: 596-01-0 Section 1 - Chemical Product MSDS Name:alpha-Naphtholphthalein indicator Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 596-01-0 Alpha-naphtholphthalein, indicator 100.00 209-875-5 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: Dust may cause mechanical 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 digestive tract disturbances. 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 immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes. 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. 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: 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 596-01-0: 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: gray to brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 238.00 - 240.00 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: Insoluble. Specific Gravity/Density: Molecular Formula: C28H18O4 Molecular Weight: 418.45 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 596-01-0 unlisted. LD50/LC50: Not available. Carcinogenicity: Alpha-naphtholphthalein, indicator - 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# 596-01-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 596-01-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 596-01-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;
• 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: 32041900

合成路线

85-44-9 90-15-3 ~% 596-01-0

文献：Fresenius' Zeitschrift fuer Analytische Chemie, , vol. 55, p. 423

90-15-3 88-95-9 ~% 596-01-0

文献：Biochemische Zeitschrift, , vol. 24, p. 382 Chemische Berichte, , vol. 4, p. 661,725

85-44-9 90-15-3 7664-93-9 ~% 596-01-0

文献：Journal of the Chemical Society, , vol. 113, p. 20

85-44-9 90-15-3 5435-44-9 ~% 596-01-0

文献：Journal of the Chemical Society, , vol. 117, p. 215

90-15-3 88-95-9 ~% 138250-88-1 596-01-0

文献：Chemische Berichte, , vol. 53, p. 1454 Biochemische Zeitschrift, , vol. 24, p. 382 Chemische Berichte, , vol. 52, p. 1788

90-15-3 7664-93-9 59198-77-5 ~% 596-01-0

文献：Chemische Berichte, , vol. 53, p. 1454 Ph. Ch. Bodenstein-Festb., , p. 355

上下游产品

上游产品  6
85-44-9 90-15-3 88-95-9 7664-93-9
5435-44-9 59198-77-5
下游产品  0

制备

1.由邻苯二甲酸酐与α-萘酚及氯化锌加热至100℃～110℃时制成。同时伴生副产物，经分离而得。

2.将1-萘酚和苯酐分别研细，按理论量混合后与浓硫酸一起搅拌成绿色粘稠状，维持温度在60℃ （ 不超过65℃）下19h，进行缩合反应：

冷却后粉碎，用冰水浸泡成松散状黄色粉末，用水洗涤，甩干。用1%氢氧化钠溶液溶解，并加热至60℃，趁热过滤，滤液冷却后用1∶ 1盐酸溶液在10℃以下中和至呈酸性，析出的结晶在低温下干燥，即得成品。

海关

海关编码	2932209090
中文概述	2932209090. 其他内酯. 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	2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%