17057-91-9

• 常用中文名：2,4,5-三甲基萘
• 常用英文名：1,3,8-Trimethylnaphthalene
• CAS号：17057-91-9
• 分子式：C₁₃H₁₄
• 分子量：170.250
• 发布时间：2018-09-11 19:22:28
• 更新时间：2024-01-06 18:37:17

名称

• 中文名: 2,4,5-三甲基萘
• 英文名: 1,3,8-trimethylnaphthalene
• 中文别名: 1,3,8-三甲基萘
• 英文别名: UNII-X3MOE579W5; 1,3,8-Trimethyl-naphthalin; Naphthalene,1,3,8-trimethyl; Naphthalene, 1,3,8-trimethyl-; EINECS 241-121-0; 2,4,5-TriMethylnaphthalene; 1,3,8-trimethyl-naphthalene

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 290.0±20.0 °C at 760 mmHg
• 熔点: 48ºC
• 分子式: C₁₃H₁₄
• 分子量: 170.250
• 闪点: 130.3±12.5 °C
• 精确质量: 170.109543
• LogP: 4.83
• 蒸汽压: 0.0±0.3 mmHg at 25°C
• 折射率: 1.595
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：58.57

  2、 摩尔体积（m³/mol）：172.3

  3、 等张比容（90.2K）：424.0

  4、 表面张力（3.0 dyne/cm）：36.6

  5、 极化率（0.5 10 ^-24cm ³）：23.21

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.3

  2.氢键供体数量:0

  3.氢键受体数量:0

  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0

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:173

  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：不确定

  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）：48

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,0.05mmHg）：不确定

  7. 折射率：不确定

  8. 闪点（ºF）：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

2,4,5-Trimethylnaphthalene Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:2,4,5-Trimethylnaphthalene Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified Not classified HEALTH HAZARDS ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbolsNone No signal word Signal word Hazard statementsNone None Precautionary statements: Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:2,4,5-Trimethylnaphthalene Percent:>98.0%(GC) CAS Number:17057-91-9 Chemical Formula:C13H14 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. 2,4,5-Trimethylnaphthalene Section5. FIRE-FIGHTING MEASURES Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:Crystal- Powder Colour:White - Almost white Odour:No data available pH: No data available Melting point/freezing point:48°C Boiling point/range:No data available Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available No data available Relative density: Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Stable under proper conditions. Chemical stability: Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents 2,4,5-Trimethylnaphthalene Section10. STABILITY AND REACTIVITY Hazardous decomposition Carbon monoxide, Carbon dioxide products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil Log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations Not listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. 2,4,5-Trimethylnaphthalene SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 海关编码: 2902909090

合成路线

102943-12-4 ~% 17057-91-9

文献：Journal of the Indian Chemical Society, , vol. 36, p. 1,12

27410-97-5 ~% 17057-91-9

文献：Journal of Organic Chemistry, , vol. 36, # 17 p. 2480 - 2485

108-38-3 ~% 17057-91-9

文献：Journal of Organic Chemistry, , vol. 36, # 17 p. 2480 - 2485

856196-68-4 ~% 17057-91-9

文献：Journal of Organic Chemistry, , vol. 19, p. 575,582

30316-36-0 ~% 17057-91-9

文献：Journal of Organic Chemistry, , vol. 36, # 17 p. 2480 - 2485

17190-45-3 ~% 17057-91-9

文献：Journal of Organic Chemistry, , vol. 19, p. 575,582

61192-05-0 ~% 17057-91-9

文献：Journal of Organic Chemistry, , vol. 19, p. 575,582

917-64-6 22156-47-4 ~% 17057-91-9

文献：Bulletin of the Chemical Society of Japan, , vol. 45, p. 519 - 525

32281-79-1 ~% 17057-91-9

文献：Journal of the Indian Chemical Society, , vol. 36, p. 1,12

上下游产品

上游产品  8
102943-12-4 32281-79-1 108-38-3 856196-68-4
17190-45-3 61192-05-0 917-64-6 22156-47-4
下游产品  0

海关

海关编码	2902909090
中文概述	2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素	品名, 成分含量
Summary	2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%