122-82-7

• 常用中文名：对乙酰基乙酰氨基苯乙醚
• 常用英文名：Acetoacet-P-Phenetidide
• CAS号：122-82-7
• 分子式：C₁₂H₁₅NO₃
• 分子量：221.25200
• 发布时间：2018-09-01 18:20:01
• 更新时间：2024-01-09 10:54:42
• 【用途一】
  用于合成C.I.颜料黄75；152等品种的偶合组份。
  【用途二】
  用作染料、有机颜料中间体
  【用途三】
  染料和颜料中间体产品。

名称

• 中文名: 对乙氧基-N-乙酰乙酰苯胺
• 英文名: Acetoacet-p-phenetidide
• 中文别名: 对乙酰基乙酰氨基苯乙醚; N-乙酰乙酰基对氨基苯乙醚; 4'-乙氧基乙酰乙酰苯胺; 4-乙氧基乙酰乙酰苯胺; N-乙酰乙酰基-4-乙氧基苯胺
• 英文别名: ACETOACET-P-PHENITIDIDE; p-acetoacetophenetidide; N-Acetoacetyl-p-phenetidine; Acetessigsaeure-p-phenetidid; N-(4-Ethoxyphenyl)-3-oxobutanamide; EINECS 204-577-1; acetoacetic acid p-phenetidide; 1-aceto-acetyl-amino-4-ethoxy-benzene; 4'-Ethoxyacetoacetanilide; Ethoxyacetoacetanilide; ACETOACET-P-PHENETIDINE; P-ACETOACETOTOLUIDIDE; MFCD00043937; 3-oxo-N-(4'-ethoxyphenyl)butanamide; AAPP; acetoacet-4-ethoxyanilide

物化性质

• 密度: 1.145g/cm3
• 沸点: 418.3ºC at 760mmHg
• 熔点: 104 °C
• 分子式: C₁₂H₁₅NO₃
• 分子量: 221.25200
• 闪点: 163 °C
• 精确质量: 221.10500
• PSA: 55.40000
• LogP: 2.07590
• 外观性状: 固体;White to Almost white powder to crystal
• 蒸汽压: 3.31E-07mmHg at 25°C
• 折射率: 1.545
• 储存条件: 库房通风低温干燥
• 水溶解性: 可溶于：甲醇
• 分子结构:

  1、 摩尔折射率：61.13

  2、 摩尔体积（m³/mol）：193.1

  3、 等张比容（90.2K）：492.1

  4、 表面张力（dyne/cm）：42.1

  5、 极化率（10^-24cm³）：24.23

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:5

  5.互变异构体数量:8

  6.拓扑分子极性表面积55.4

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:245

  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

MSDS

p-Acetoacetophenetidide Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:p-Acetoacetophenetidide Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 3 Acute toxicity (Oral) ENVIRONMENTAL HAZARDSNot classified GHS label elements Pictograms or hazard symbols Signal wordDanger Hazard statementToxic if swallowed Precautionary statements [Prevention]Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. [Response]IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse mouth. [Storage]Store locked up. Dispose of contents/container through a waste management company authorized by [Disposal] the local government Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):p-Acetoacetophenetidide Percent:>98.0%(GC)(T) CAS Number:122-82-7 Synonyms:N-Acetoacetyl-p-phenetidine , N-Acetoacetyl-4-ethoxyaniline , 4'- Ethoxyacetoacetanilide Chemical Formula:C12H15NO3 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. p-Acetoacetophenetidide 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:Immediately call a POISON CENTER or doctor/physician. 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: 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 Personal precautions,Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should emergency procedures: be controlled around the leakage area by 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 closed system if possible. 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 Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. 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. Eye protection:Safety goggles. A face-shield, if the situation requires. Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Solid Physical state (20°C): Form:crystal - powder Color:White - Very pale yellow Odor:No data available p-Acetoacetophenetidide Section9. PHYSICAL AND CHEMICAL PROPERTIES pH: No data available Melting point/freezing point:104 °C Boiling Point/Range:No data available Flash Point:No data available Explosive limits No data available Lower: Upper:No data available 2.7Pa/20°C Vapor Pressure: Vapor Density:7.63 No data available Density: Solubility:Soluble in : Methanol Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) Products: Section11. TOXICOLOGICAL INFORMATION orl-rat LD50:176 mg/kg Acute Toxicity: Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available No data available Reproductive toxicity: RTECS Number:AK5800000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobillity 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:6.1: Toxic substance. UN-No:2811 Proper shipping name:Toxic solid, organic, n.o.s. Packing group:III p-Acetoacetophenetidide 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

毒性和生态

毒理学数据: 1、急性毒性：大鼠经口LD50：176mg/kg CHEMICAL IDENTIFICATION RTECS NUMBER : AK5800000 CHEMICAL NAME : Acetoacetic acid, p-phenetidide CAS REGISTRY NUMBER : 122-82-7 BEILSTEIN REFERENCE NO. : 1460198 LAST UPDATED : 199701 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C12-H15-N-O3 MOLECULAR WEIGHT : 221.28 WISWESSER LINE NOTATION : 2OR DMV1V1 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 : 176 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 19,822,1964

安全

• 危害码 (欧洲): T+
• 危险品运输编码: 2811
• RTECS号: AK5800000
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2924299090

合成路线

674-82-8 156-43-4 ~92% 122-82-7

文献：Osolodkin, Dmitry I.; Kozlovskaya, Liubov I.; Dueva, Evgenia V.; Dotsenko, Victor V.; Rogova, Yulia V.; Frolov, Konstantin A.; Krivokolysko, Sergey G.; Romanova, Ekaterina G.; Morozov, Alexey S.; Karganova, Galina G.; Palyulin, Vladimir A.; Pentkovski, Vladimir M.; Zefirov, Nikolay S. ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 9 p. 869 - 874

141-97-9 156-43-4 ~69% 122-82-7

文献：Jones, Raymond C. F.; Collighan, Russell J.; Crane, Joanna; Hodges, Nikolas J.; Ling, Matthew S.; Stroud, Joanne Synthetic Communications, 2002 , vol. 32, # 20 p. 3185 - 3191

141-97-9 ~% 122-82-7

文献：Chemische Berichte, , vol. 64, p. 969

674-82-8 ~% 122-82-7

文献：US2152786 , ;

上下游产品

上游产品  3
674-82-8 156-43-4 141-97-9
下游产品  4
1083-57-4 857801-72-0 63389-56-0 380638-81-3

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%