3155-16-6

• 常用中文名：草酸二苯酯
• 常用英文名：Ethanedioic acid,1,2-diphenyl ester
• CAS号：3155-16-6
• 分子式：C₁₄H₁₀O₄
• 分子量：242.22700
• 发布时间：2018-03-22 08:00:00
• 更新时间：2024-01-04 12:17:59

名称

• 中文名: 草酸二苯酯
• 英文名: diphenyl oxalate
• 英文别名: Diphenyl ethanedioate; Diphenyl-oxalat; cyalume; Ethanedioic acid,diphenyl ester; Oxalsaeure-diphenylester; Oxalic Acid Diphenyl Ester; OXALIC ACID DIPHENYL ESTER

物化性质

• 密度: 1.257g/cm3
• 沸点: 336.7ºC at 760mmHg
• 熔点: 136ºC
• 分子式: C₁₄H₁₀O₄
• 分子量: 242.22700
• 闪点: 147.5ºC
• 精确质量: 242.05800
• PSA: 52.60000
• LogP: 2.19760
• 折射率: 1.577
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：63.87

  2、 摩尔体积（cm³/mol）：192.5

  3、 等张比容（90.2K）：505.8

  4、 表面张力（dyne/cm）：47.6

  5、 极化率（10^-24cm³）：25.32

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.5

  2、 氢键供体数量：0

  3、 氢键受体数量：4

  4、 可旋转化学键数量：5

  5、 拓扑分子极性表面积（TPSA）：52.6

  6、 重原子数量：18

  7、 表面电荷：0

  8、 复杂度：258

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 气相标准燃烧热(焓)(kJ·mol^-1)：-6501.0

  2. 气相标准声称热(焓)( kJ·mol^-1) ：-437.2

  3. 液相标准燃烧热(焓)(kJ·mol^-1)：-6430.0

  4. 熔点（ºC）：136

  5. 液相标准声称热(焓)( kJ·mol^-1)：-508.3

  6. 晶相相标准燃烧热(焓)(kJ·mol^-1)：-6398.6

  7. 晶相标准声称热(焓)( kJ·mol^-1)：-539.7

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Diphenyl Oxalate Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Diphenyl Oxalate Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Acute toxicity (Oral)Category 4 Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsHarmful if swallowed Precautionary statements: [Prevention]Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. [Response] Rinse mouth. Dispose of contents/container through a waste management company authorized by [Disposal] the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Diphenyl Oxalate Percent:>98.0%(GC) CAS Number:3155-16-6 Synonyms:Oxalic Acid Diphenyl Ester Chemical Formula:C14H10O4 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. Diphenyl Oxalate Section4. FIRST AID MEASURES 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 Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing 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. 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 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. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. 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 Solid Physical state (20°C): Form:Crystal- Powder Colour:White - Pale reddish yellow No data available Odour: pH: No data available Melting point/freezing point:136°C Boiling point/range:No data available No data available Flash point: Diphenyl Oxalate Section9. PHYSICAL AND CHEMICAL PROPERTIES Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:No data available Solubility(ies): [Water]Insoluble [Other solvents] Soluble:Acetone Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:orl-mus LD50:1 g/kg Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available RO2880000 RTECS Number: 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): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available 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 UN-No:Not listed Diphenyl Oxalate 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. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : RO2880000 CHEMICAL NAME : Oxalic acid, diphenyl ester CAS REGISTRY NUMBER : 3155-16-6 BEILSTEIN REFERENCE NO. : 1881259 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C14-H10-O4 MOLECULAR WEIGHT : 242.24 WISWESSER LINE NOTATION : ROVVOR HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 89,1179,1969

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 22-36/37/38
• 安全声明 (欧洲): 36/37/39
• 海关编码: 2917119000

合成路线

上下游产品

上游产品  9
79-37-8 108-95-2 148705-17-3 51719-70-1
60-29-7 40227-15-4 144-62-7 95-92-1
553-90-2
下游产品  10
3526-45-2 620-81-5 14288-22-3 21021-99-8
3030-75-9 102-09-0 611-99-4 553-90-2
7579-36-4 3299-63-6

海关

海关编码	2917119000
中文概述	2917119000 其他草酸盐和酯。监管条件:无。增值税率:17.0%。退税率:9.0%。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, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分
Summary	2917119000 oxalic acid salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%