Acetaldoxime 乙醛肟

CAS 107-29-9 MFCD00002124

化学结构图

107-29-9
SMILES: C/C=N/O

化学属性

Mol. FormulaC2H5NO
Mol. Weight59
Refractive index1.4230 to 1.4270
Boiling Point115
Density0.969
Flash Point36°(96°F)
TSCAYes
Melting Point46.5°C
Solubility溶于水。

别名和识别编码

Chemical NameAcetaldoxime
Synonym AAO ACETALDEHYDE OXIME (CIS+TRANS) ACETALDOXIME 99% ACETALDOXIME, 50 WT. % SOLUT ALDOXIME Acetaldehyde oxime Acetaldehyde oxime (cis+trans) Acetaldehyde oxime; AAO Acetaldehydoxim, syn/anti Acetaldehydoxim, syn/anti Gemisch Acetaldoxime Acetaldoxime, mixture of syn and anti Acetaldoxime, syn + anti Acetatldoxime Ethanal oxime Ethylidenehydroxylamine USAF AM-5 Usaf am-5 acetaldehyde oxime acetaldehyde-oxime acetaldoxime,mixtureofsynandanti hydroiminoethane 乙醛肟 乙醛肟,顺式和反式混合物 乙醛肟,顺式和反式混合物 溶液 乙醛肟, SYN + ANTI 亚乙基胲
CAS Number107-29-9
PubChem Substance ID87561712
EC Number203-479-6
Beilstein Registry Number1209252
MDL NumberMFCD00002124
Reaxys-RN1209252
Merck Number42
Chemical Name Translation乙醛肟
Wiswesser Line NotationQNU2
InChIInChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+
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分类

  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 氨基甲酸酯类杀虫剂
  • {SNA} Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Oximes
  • {uni_hamburg} no charge; 1fragment
  • Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Oximes

产品应用

  • 检验钴、铜和镍。锅炉水除氧剂,医药、农药中间体。

相关文献及参考

  • The dimetallated species (n-BuLi, -78o) can be alkylated at the ɑ-position: Tetrahedron Lett., 25, 263 (1984).
  • Merck:14,42
  • Short: III/20a
  • Short: II/6
  • Short: II/14a
  • Chlorination with NCS: Tetrahedron, 40, 2985 (1984), or chlorine, gives the chloroxime, dehydrochlorination of which generates acetonitrile N-oxide, a reactive 1,3-dipole which undergoes cycloadditions with alkenes providing a one-pot route to 2-isoxazolines (same ref.):
  • Merck:14,42 Beilstein:1,608
  • Nitrile oxides can be generated from other aldoximes in a similar manner. The resulting isoxazolines can readily be reduced to 3-hydroxy ketones.

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 3
RTECSAB2975000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • 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。
  • 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+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Risk Statements
  • R10 Flammable 易燃
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R36 Irritating to eyes 刺激眼睛
UN Number 2332
Packing GroupIII
Storage condition 密封阴凉干燥保存。 0-6°C
Hazard Class3
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 12,227,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 230 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 204,149,1988

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 15 gm/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 204,149,1988

其他信息

  • 下游产品:灭多威 --> 灭多威 --> 2-噻吩乙胺 --> 灭多威肟 --> 1-氯乙醛肟
  • 用途二:乙醛肟是合成农药灭多威、硫双灭多威和棉铃威等的中间体。
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运
  • Alfa Aesar:乙醛肟,syn+anti,98% Acetaldoxime, syn + anti, 98%(107-29-9)
  • Sigma Aldrich:107-29-9(sigmaaldrich)
  • 图谱信息:乙醛肟(107-29-9)质谱(MS) 乙醛肟(107-29-9)核磁图( 13 CNMR) 乙醛肟(107-29-9)核磁图( 1 HNMR) 乙醛肟(107-29-9)红外图谱(IR1)
  • 爆炸物危险特性:蒸气与空气混合可爆
  • 可燃性危险特性:易燃; 高热放出有毒氮氧化物气体
  • 乙醛肟价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010088 乙醛肟;亚乙基胲 100ml 180元 2011/04/16 A0006 乙醛肟 Acetaldoxime 500ML 560元 2011/04/16 A0006 乙醛肟 Acetaldoxime 25ML 241元
  • MOL 文件:107-29-9.mol
  • 方法一:乙醛肟由羟胺和乙醛水溶液反应而得。反应方程式:CH 3 CHO+NH 2 OH·HCl+NaOH→CH 3 CH=NOH+NaCl+H 2 O 在目前的工业生产中,普遍采用含量较高的晶体硫酸羟胺作原料,在使用时再将其配制成20%~50%水溶液,然后与乙醛反应生成乙醛肟。反应方程式如:CH 3 CHO+(NH 2 OH) 2 ·H 2 SO 4 →CH 3 CH=NOH 在上述硫酸羟胺水溶液中加入乙醛,在40~50℃下反应2h,冷却后除去其中的无机盐,得到含乙醛肟约50%的澄清透明水溶液,经检测,该水溶液中除乙醛肟和水外,杂质量非常少,乙醛肟的收率也在90%以上(以硫酸羟胺计),将这种水溶液进行抽提精制,可以得到含量90%以上的乙醛肟产品。
  • MSDS 信息:乙醛肟(107-29-9).msds
  • 易溶于水、乙醇和乙醚、酮、烃等有机溶剂。在盐酸水溶液中分解为乙醛和羟胺。易燃。有刺激性
  • 外观性质:α型为白色固体,β型为白色液体。
  • 类别:易燃液体
  • 用途一:用作有机合成中间体、农药灭多威中间体、锅炉水除氧剂等
  • 上游原料:硫酸羟胺 --> 乙醛水溶液
  • 用途三:用于有机合成。
  • 急性毒性:腹注-小鼠 LD50: 100 毫克/公斤
  • 灭火剂:干粉, 二氧化碳, 砂土, 泡沫
  • TCI Shanghai:乙醛肟 Acetaldoxime,>;99.0%(GC)(107-29-9)
  • 海关编码:29280090
  • 毒性分级:高毒
  • Acros Organics:乙醛肟 Acetaldoxime, mixture of syn and anti, 99%(107-29-9)
  • 用途四:检验钴、铜和镍。锅炉水除氧剂,医药、农药中间体。

系列性分类


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