CAS 2235-46-3 MFCD00026728-Acetoacetamide, N,N-diethyl- N,N-二乙基乙酰乙酰胺 TAO{mole}

Acetoacetamide, N,N-diethyl- N,N-二乙基乙酰乙酰胺

CAS 2235-46-3 MFCD00026728

化学结构图

SMILES: CCN(CC)C(=O)CC(C)=O

化学属性

Mol. Formula	C8H15NO2
Mol. Weight	157.2102
Density	0.994 g/mL at 20 °C(lit.)
Boiling Point	76 °C at 760 mmHg
Refractive index	1.4690 to 1.4720
Flash Point	120°C(lit.)
TSCA	Yes
Melting Point	-73 °C
Appearance	N,N-二乙基乙酰乙酰胺(2235-46-3)为浅棕红色液体。沸点98-100℃，相对密度0.900-0.986（20/21℃）。

别名和识别编码

Chemical Name	N,N-Diethylacetoacetamide
Synonym	N,N-Diethylacetoacetamide {LY} N,N-Diethylacetoacetamide {} {LY} N,N-Diethylacetoacetamide {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Diethylacetoacetamide {} {} {} {} {} {} {} {} {} {}
CAS Number	2235-46-3
EC Number	218-792-3
Beilstein Registry Number	4(4)409
MDL Number	MFCD00026728
PubChem Substance ID	16699
Chemical Name Translation	N,N-二乙基乙酰乙酰胺
Reaxys-RN	636486
Wiswesser Line Notation	2N2&V1V1
LabNetwork Molecule ID	LN01269637
Canonical SMILES	O=C(N(CC)CC)CC(C)=O
InChI	InChI=1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3

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安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P264+P265
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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。
P302+P352
P304+P340
P305+P351+P338
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。
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P332+P317
P337+P313
P337+P317
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P362+P364
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

RTECSAK4025000

Personal Protective Equipment Eyeshields, Gloves

Hazard statements

H303 May be harmfully swallowed 吞食可能有害
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4760 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

用途一:本品为农药中间体，用于合成杀虫剂磷胺的中间体α，α-二氯代-N，N-二乙基乙酰乙酰胺。
方法二:将定量的二乙胺投入反应锅。开动搅拌，在40-45℃下，滴加双乙烯酮。加毕，在45±5℃保温1h，即得纯度在92%以上的乙酰乙酰二乙胺。配料比(摩尔比)为双乙烯酮：二乙胺=1：1.05。原料消耗定额：二乙胺（95%）478kg/t、双乙烯酮（92%）525kg/t。
用途二:农药中间体，主要用于制取农药磷胺。
TCI Shanghai:N,N-二乙基乙酰乙酰胺 N,N-Diethylacetoacetamide,>;95.0%(GC)(2235-46-3)
N,N-二乙基乙酰乙酰胺价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 D1371 N,N-二乙基乙酰乙酰胺 N,N-Diethylacetoacetamide 500G 1080元 2014/06/02 D1371 N,N-二乙基乙酰乙酰胺 N,N-Diethylacetoacetamide 25G 157元 2010/05/25 B24019 N,N-二乙基乙酰酮乙酰胺, 97% N,N-Diethylacetoacetamide, 97% 50g 255元
color:yellow
MOL 文件:2235-46-3.mol
Alfa Aesar:N,N-二乙基乙酰酮乙酰胺,97% N,N-Diethylacetoacetamide, 97%(2235-46-3)
下游产品:Α,Α-二氯代-N,N-二乙基乙酰乙酰胺
Sigma Aldrich:2235-46-3(sigmaaldrich)
上游原料:盐酸 --> 二氯甲烷 --> 氧氯化硫 --> 乙酰乙酸乙酯 --> 二乙胺 --> 甲基叔丁基醚 --> 二乙烯酮
图谱信息:N,N-二乙基乙酰乙酰胺(2235-46-3)核磁图( 1 HNMR) N,N-二乙基乙酰乙酰胺(2235-46-3)核磁图( 13 CNMR) N,N-二乙基乙酰乙酰胺(2235-46-3)质谱(MS) N,N-二乙基乙酰乙酰胺(2235-46-3)红外图谱(IR1) N,N-二乙基乙酰乙酰胺(2235-46-3)红外图谱(IR2)
方法一:其制备方法是由双乙烯酮与二乙胺缩合而得。按投料比为双乙烯酮∶二乙胺=1∶1.05(摩尔比)，将定量的二乙胺投入反应锅，开动搅拌，有40～45℃下滴加双乙烯酮。加毕，在(45±5)℃保温1h，即得含量在92％以上的乙酰乙酰二乙胺。