Acetoacetanilide N-乙酰乙酰苯胺

CAS 102-01-2 MFCD00008780

化学结构图

102-01-2
SMILES: CC(=O)CC(=O)Nc1ccccc1

化学属性

Mol. FormulaC10H11NO2
Mol. Weight177
Density1.260
Autoignition Point843 °F
Vapor Density6.1 (vs air)
Melting Point83-88
Flash Point150°(302°F)
TSCAYes
Boiling Point129°/24mm
Solubility微溶于水，溶于稀碱、乙醇、氯仿、乙醚、热苯、热石油醚及酸。
Appearance 白色或微黄色粉末
Danger-Level-
pH-:-
Redox-

别名和识别编码

Chemical NameAcetoacetanilide
CAS Number102-01-2
EC Number202-996-4
Beilstein Registry Number473419
MDL NumberMFCD00008780
Synonym 1-ACETYLACET 2-Acetyl-acetanilide; N-(Acetylacetyl)aniline; N-Phenyl-3-oxobutanamide; N-phenylacetoacetamide; AAA; AAN 3-OXO-N-PHENYLBUTYRAMIDE 3-Oxo-N-phenylbutanamide 3-oxo-, 3-oxo-n-phenyl-butanamid 3-氧-N-苯基丁酰胺 AAA Acetanilide, 2-acetyl- Acetoacetanilid Acetoacetanilide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87561749
Merck Number58
Chemical Name TranslationN-乙酰乙酰苯胺
Reaxys-RN473419
Wiswesser Line Notation1V1VMR
LabNetwork Molecule IDLN00225555
InChIInChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
Canonical SMILESCC(=O)CC(=O)Nc1ccccc1
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分类

  • {SNA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; amide; ketone; 1fragment
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 其他类杀菌剂
  • {SNA} A-B, Alphabetical Listings, Flavors and Fragrances
  • {SA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Short: EINECS
  • Short: III/5a
  • Merck:14,58
  • Merck:14,58 Beilstein:12,518

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P308+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H303 May be harmfully swallowed 吞食可能有害
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSAK4200000
Hazard Codes Xn 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Vascular - regional or general arteriolar or venous dilation
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533572

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 31(1),49,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 31(1),49,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Informat

Restrict 易制毒
Storage condition +4°C +4℃ 4℃

其他信息

  • 急性毒性:口服-大鼠LD50:5400毫克/公斤; 口服-小鼠LD50:3400 毫克/公斤
  • 毒性分级:中毒
  • {Chemical
  • Sigma Aldrich:102-01-2(sigmaaldrich)
  • 图谱信息:N-乙酰乙酰苯胺(102-01-2)质谱(MS) N-乙酰乙酰苯胺(102-01-2)核磁图( 13 CNMR) N-乙酰乙酰苯胺(102-01-2)Raman光谱 N-乙酰乙酰苯胺(102-01-2)红外图谱(IR2) N-乙酰乙酰苯胺(102-01-2)核磁图( 1 HNMR) N-乙酰乙酰苯胺(102-01-2)红外图谱(IR1)
  • 下游产品:4-甲基喹啉 --> 颜料黄 12 --> 直接耐晒黄5GL --> 2,2'-(3,3'-二氯-1,1'-联苯-4,4'-双偶氮)双(N-苯基-3-氧代-丁酰胺) --> 溶剂黄 21 --> 萎锈灵 --> 2-氨基-4-甲基-5-甲酰苯胺噻唑 --> 耐晒黄 G --> 酸性黄116 --> α-氯代乙酰乙酰苯胺 --> 颜料黄 5 --> 分散黄S-3GL --> 2-羟基-4-甲基喹啉 --> 中性黄 GL --> 酸性黄 44 --> 溶剂橙 45 --> 溶剂黄 19
  • 方法二:由双乙烯酮与苯胺作用而得：将苯胺与双乙烯酮在0-15℃温度下反应，生成乙酰乙酰苯胺，再经过滤，烘干得成品。此法与用酰乙酸乙酯的酰化相比，双乙烯酮的酰化具有工艺简单、收率高、
  • 类别:有毒物品
  • TCI Shanghai:乙酰乙酰苯胺 Acetoacetanilide,>;98.0%(N)(102-01-2)
  • MSDS 信息:Acetoacetanilide(102-01-2).msds
  • 蒸气密度:6.1 (vs air)
  • 用途三:乙酰乙酰苯胺是杀菌剂拌种灵的中间体。
  • N-乙酰乙酰苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30001627 乙酰基乙酰苯胺 250g 35元 2011/04/16 A0046 乙酰乙酰苯胺 Acetoacetanilide 25G 175元 2011/04/16 A0046 乙酰乙酰苯胺 Acetoacetanilide 500G 273元
  • Alfa Aesar:N-乙酰乙酰苯胺,98+% Acetoacetanilide, 98+%(102-01-2)
  • 上游原料:氨基苯 --> 二乙烯酮 --> 甲烷 --> 无水苯 --> 三口烧瓶 --> 流量计
  • 方法二:由双乙烯酮与苯胺作用而得：将苯胺与双乙烯酮在0-15℃温度下反应，生成乙酰乙酰苯胺，再经过滤，烘干得成品。此法与用酰乙酸乙酯的酰化相比，双乙烯酮的酰化具有工艺简单、收率高、质量好等优点。原料消耗定额：苯胺（99.5)548kg/t，双乙烯酮(96%)501kg/t。实验室制备可按下法操作在500ml三口烧瓶中放46g(0.5 mol)无水苯胺，125ml无水苯。在搅拌下滴加双乙烯酮的苯溶液(42g，0.5m
  • 用途二:主要用作染料中间体，用于制造吡唑啉酮、嫩黄5G、酸性络合黄GR、中性深黄GL、汉沙黄G、颜料黄G等染料
  • 溶于乙醚；乙醇；氯仿；热苯及苛性钠溶液，微溶于水，难溶于氨水及碳酸钠溶液。在空气中较稳定，与三氯化铁溶液作用变成青紫色。
  • 储运特性:库房通风低温干燥
  • 方法一:其制备方法是在反应釜内开动搅拌，降温0～15℃，按一定的流量比通过流量计同时加入苯胺和双乙烯酮，在2h左右加完，然后在10～15℃搅拌2 h，经吸滤干燥而得成品。
  • MOL 文件:102-01-2.mol
  • 可燃性危险特性:过敏物质；易燃;加热分解释放有毒氮氧化物烟雾
  • 用途一:本品为染料、有机颜料、农药的中间体，用于合成中性黄色染料致性综合其GR，有机黄色颜料（如：C.I.1; C.I.12）的生产。也用于合成农药如：委锈灵等的生产。
  • {Chemic
  • Acros Organics:N-乙酰乙酰替

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. A-B - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Amides - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Amides - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Amidates/Imidates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes
  6. C9

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