81-30-1

• 常用中文名：1,4,5,8-萘四甲酸酐
• 常用英文名：1,4,5,8-Naphthalenetetracarboxylic dianhydride
• CAS号：81-30-1
• 分子式：C₁₄H₄O₆
• 分子量：268.178
• 相关类别： 化学试剂 有机试剂 双环化合物
• 发布时间：2018-08-08 13:33:55
• 更新时间：2024-01-03 19:02:52
• 【用途一】
  一种n-channel organic semiconductor，用于合成耐高温高分子材料的单体,用于染料,颜料的中间体

名称

• 中文名: 1,4,5,8-萘四甲酸酐
• 英文名: 1,4,5,8-Naphthalenetetracarboxylic dianhydride
• 中文别名: 萘-1,4,5,8-四羧酸二酐; 1,4,5,8-萘四酸二酐; 萘-1,4,5,8-四甲酸二酐
• 英文别名: Isochromeno[6,5,4-def]isochromene-1,3,6,8-tetrone; MFCD00006915; NTCDA; Naphthalenetetracarboxylic dianhydride; QK3695000; UNII:L56XQD1V6Y; 1,4,5,8-Naphthalenetetracarboxylic acid dianhydride; Naphthalene-1,4,5,8-tetracarboxylic dianhydride; 1,4,5,8-Naphthalenetetracarboxylic dianhydride; [2]Benzopyrano[6,5,4-def][2]benzopyran-1,3,6,8-tetrone; Naphtho[1,8-cd:4,5-c'd']dipyran-1,3,6,8-tetrone; Isochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone; EINECS 201-342-5; {[2]Benzopyrano[6,5,4-def][2]benzopyran-1,3,6,8-tetrone}

物化性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 617.0±38.0 °C at 760 mmHg
• 熔点: >300 °C(lit.)
• 分子式: C₁₄H₄O₆
• 分子量: 268.178
• 闪点: 280.4±26.8 °C
• 精确质量: 268.000793
• PSA: 86.74000
• LogP: 0.06
• 外观性状: 浅棕色至深棕色粉末和/或块状物
• 蒸汽压: 0.0±1.8 mmHg at 25°C
• 折射率: 1.782
• 储存条件: 本品应密封于干燥避光处保存。

  1,4,5,8-萘四甲酸酐(1,4,5,8-萘四甲酸二酐)应贮存在阴凉、干燥的环境中，以防受潮。

• 分子结构:

  1、 摩尔折射率：62.95

  2、 摩尔体积（m³/mol）：149.8

  3、 等张比容（90.2K）：465.7

  4、 表面张力（dyne/cm）：93.4

  5、 极化率（10^-24cm³）：24.95

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.9

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积86.7

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:446

  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：淡黄色粉状物

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：220～221℃

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定。

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 1,4,5,8-Naphthalenetetracarboxylic dianhydride, tech grade Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. Ingredient name:1,4,5,8-Naphthalenetetracarboxylic dianhydride, tech grade CAS number:81-30-1 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula: C14H4O6 Molecular weight: 268.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性 大鼠口径LD50：7400mg/kg；大鼠气管LDL0： 50mg/kg； 小鼠口径LD50：7100mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : QK3695000 CAS REGISTRY NUMBER : 81-30-1 BEILSTEIN REFERENCE NO. : 0272788 LAST UPDATED : 199709 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C14-H4-O6 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 7400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,90,1982 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intratracheal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 50 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,90,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 7100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,90,1982

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: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: 2
• RTECS号: QK3695000

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