2-Methylacetoacetanilide 2’-甲基乙酰基乙酰苯胺

CAS 93-68-5 MFCD00008782

化学结构图

93-68-5
SMILES: CC(=O)CC(=O)Nc1ccccc1C

化学属性

Mol. FormulaC11H13NO2
Mol. Weight191.23
Density1.06
Melting Point104-106°C
Flash Point143°(289°F)
TSCAYes
Appearance 白色粉末状结晶
Boiling Point360.6 °C at 760 mmHg

别名和识别编码

Chemical Name2-Methylacetoacetanilide
CAS Number93-68-5
EC Number202-267-0
Beilstein Registry Number2099098
MDL NumberMFCD00008782
Synonym 3-Oxo-N-(o-tolyl)butanamide {LY} 3-Oxo-N-(o-tolyl)butanamide {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxo-N-(o-tolyl)butanamide {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87562513
Chemical Name Translation2’-甲基乙酰基乙酰苯胺
Reaxys-RN2099098
Wiswesser Line Notation1V1VMR B
LabNetwork Molecule IDLN00227250
InChIInChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
Canonical SMILESCC(CC(NC1=CC=CC=C1C)=O)=O
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

产品应用

  • 主要用于合成C.I.颜料黄9；14；62及C.I.颜料橙1等品种的偶合组份。

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • 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
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P312+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSAK6550000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: GN-229B,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: GN-229B,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: GN-229B,1983

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 急性毒性:口服- 大鼠 LD50: 1600 毫克/ 公斤; 口服-小鼠 LD50:1600 毫克/公斤
  • 上游原料:邻甲基苯胺 --> 二乙烯酮 --> 邻甲氧基苯胺 --> 乙酰氧基乙酸
  • Acros Organics:2'-甲基乙酰基乙酰苯胺 2'-Methylacetoacetanilide, 99%(93-68-5)
  • 毒性分级:中毒
  • 用途一:本品为染料、有机颜料、农药的中间体，用于合成有机黄染料。如颜料黄GI14（包装增效颜料黄GI14）。
  • TCI Shanghai:2-甲基-N-乙酰乙酰基苯胺 N-Acetoacetyl-o-toluidine,>;98.0%(T)(93-68-5)
  • 用途三:该品为染料、有机颜料、农药的中间体，用于合成有机黄染料。如颜料黄GI14（包装增效颜料黄GI14）。
  • MSDS 信息:N-(2-Methylphenyl)-3-oxo-butanamide(93-68-5).msds
  • MOL 文件:93-68-5.mol
  • 图谱信息:2'-甲基乙酰乙酰苯胺(93-68-5)红外图谱(IR1) 2'-甲基乙酰乙酰苯胺(93-68-5)红外图谱(IR2) 2'-甲基乙酰乙酰苯胺(93-68-5)核磁图( 13 CNMR) 2'-甲基乙酰乙酰苯胺(93-68-5)质谱(MS) 2'-甲基乙酰乙酰苯胺(93-68-5)核磁图( 1 HNMR) 2'-甲基乙酰乙酰苯胺(93-68-5)Raman光谱
  • 下游产品:颜料黄 14
  • 可燃性危险特性:可燃; 加热分解释放有毒氮氧化物烟雾
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • Alfa Aesar:2-乙酰乙酰酰基甲苯胺,99+% 2-Acetoacetotoluidide, 99+%(93-68-5)
  • 用途四:主要用于合成C.I.颜料黄9；14；62及C.I.颜料橙1等品种的偶合组份。
  • 储运特性:库房通风低温干燥
  • Sigma Aldrich:93-68-5(sigmaaldrich)
  • 用途二:用作有机颜料中间体
  • 2'-甲基乙酰乙酰苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1020 N-乙酰乙酰基邻甲基苯胺 N-Acetoacetyl-o-toluidine 500G 513元 2014/06/02 A1020 N-乙酰乙酰基邻甲基苯胺 N-Acetoacetyl-o-toluidine 25G 130元 2010/06/21 413925000 2'-甲基乙酰乙酰苯胺 2'-Methylacetoacetanilide 99% 500 GR 484元
  • 方法一:由邻甲苯胺与乙酰乙酸乙酯反应而得。也可使邻甲苯胺与双乙烯酮反应：向四口圆底烧瓶加入400nl蒸馏水，开动搅拌，降温10-15℃，用50ml滴定管均匀地按一定流量比同时滴加32.1g邻甲苯胺和26.5g双乙烯酮(滴后10min即有产品析出),在1.5h加完,然后于10-15℃搅拌1h,经吸滤,吸干而得.产率为90.5%-90.9%,曾以邻甲氧基苯胺代替邻甲苯胺,按上述试验方法中的条件进行反应得到白色细粒状的产品，收率为92%-94.2%。工业上生产1000kg产品单耗：邻甲苯胺620kg、乙酰乙酸酯760kg。
  • 类别:有毒物品

系列性分类

  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

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