68217-29-8

• 常用中文名：5-氨基-2,3-二氰基-1,4-萘醌
• 常用英文名：5-Amino-2,3-dicyano-1,4-naphthoquinone
• CAS号：68217-29-8
• 分子式：C₁₂H₅N₃O₂
• 分子量：223.18700
• 发布时间：2018-10-23 12:36:01
• 更新时间：2024-01-13 12:48:48

名称

• 中文名: 5-氨基-2,3-二氰基-1,4-萘醌
• 英文名: 5-Amino-2,3-dicyano-1,4-naphthoquinone
• 中文别名: 5-氨基-2,3-二氰-1,4-萘醌
• 英文别名: 5-amino-1,4-dioxonaphthalene-2,3-dicarbonitrile; MFCD00463160

物化性质

• 密度: 1.51g/cm3
• 沸点: 421.9ºC at 760 mmHg
• 分子式: C₁₂H₅N₃O₂
• 分子量: 223.18700
• 闪点: 209ºC
• 精确质量: 223.03800
• PSA: 107.74000
• LogP: 1.57276
• 折射率: 1.678
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：55.67

  2、 摩尔体积（m³/mol）：147.6

  3、 等张比容（90.2K）：449.9

  4、 表面张力（dyne/cm）：86.5

  5、 极化率（10 ^-24cm ³）：20.07

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.2

  2.氢键供体数量:1

  3.氢键受体数量:5

  4.可旋转化学键数量:0

  5.互变异构体数量:5

  6.拓扑分子极性表面积108

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:528

  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：。

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：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（kPa,25ºC）：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：。

MSDS

5-Amino-2,3-dicyano-1,4-naphthoquinone SAFETY DATA SHEET Section1. IDENTIFICATION OF THE SUBSTANCE OR MIXTURE AND OF THE SUPPLIER Product name:5-Amino-2,3-dicyano-1,4-naphthoquinone Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 4 Acute toxicity (Oral) Acute toxicity (Dermal)Category 4 Category 4 Acute toxicity (Inhalation) Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements Pictograms or hazard symbols Signal wordWarning Hazard statementHarmful by inhalation, in contact with skin and if swallowed Causes skin irritation Causes serious eye irritation Precautionary statements [Prevention]Avoid breathing. Use only outdoors or in a well-ventilated area. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves and eye/face protection. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for [Response] breathing. Call a POISON CENTER or doctor/physician if you feel unwell. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. IF IN EYES: 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. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Wash contaminated clothing before reuse. Call a POISON CENTER or doctor/physician if you feel unwell. [Disposal]Dispose of contents/container through a waste management company authorized by the local government 5-Amino-2,3-dicyano-1,4-naphthoquinone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):5-Amino-2,3-dicyano-1,4-naphthoquinone Percent:>95.0%(LC) CAS Number:68217-29-8 Chemical Formula:C12H5N3O2 Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Call a POISON CENTER or doctor/physician if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. 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:Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods: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. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, 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 Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. 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. Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store locked up. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. 5-Amino-2,3-dicyano-1,4-naphthoquinone Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Personal protective equipment Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Hand protection:Impervious gloves. Safety goggles. A face-shield, if the situation requires. Eye protection: Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid crystal - powder Form: Color:Blue - Deep blue No data available Odor: pH: No data available Melting point/freezing point:No data available Boiling Point/Range:No data available Flash Point:No data available Explosive limits No data available Lower: Upper:No data available No data available Density: Solubility:No data available Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents, acids Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen cyanide Products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): 5-Amino-2,3-dicyano-1,4-naphthoquinone 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 UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 海关编码: 2926909090

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 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
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%