Acetophenone oxime 苯乙酮肟

CAS 613-91-2 MFCD00013931

化学结构图

613-91-2
SMILES: CC(=NO)c1ccccc1

化学属性

Mol. FormulaC8H9NO
Mol. Weight135.16
Boiling Point118-120 °C at 20 mmHg
Density1.11
Melting Point55-60 °C
TSCAYes
Solubility略溶于水
Flash Point118-120°C/20mm
Appearance 白色固体结晶, 密度 1.11, 熔点 58-60℃, 沸点 245℃ ,微溶于水

别名和识别编码

Chemical NameAcetophenone oxime
CAS Number613-91-2
PubChem Substance ID5464950
EC Number210-360-2
MDL NumberMFCD00013931
Reaxys-RN1562059
Beilstein Registry Number1562059
Synonym Acetophenone oxime {LY} Acetophenone oxime {} {LY} Acetophenone oxime {} {} {LY} Acetophenone oxime {} {} {} {LY} Acetophenone oxime {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetophenone oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acetop
Chemical Name Translation苯乙酮肟
Alfabeta NamePHENYLETHANONEOXIME 11---
InChIKeyJHNRZXQVBKRYKN-VQHVLOKHSA-N
Wiswesser Line NotationQNUY1&R
InChIInChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+
Canonical SMILESC/C(C1=CC=CC=C1)=N\O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Oximes
  • Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Oximes

相关文献及参考

  • The dianion (n-BuLi) reacts to form heterocycles with electrophiles, e.g. methyl benzoate (or benzonitrile), CO2 or benzophenone: J. Org. Chem., 35, 1806 (1970); J. Chem. Soc. (C), 974 (1971); J. Heterocycl. Chem., 13, 449 (1976), respectively:

安全信息

GHS Symbol
WGK Germany3
Hazard Codes T;Xi T,Xi T
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H318 Causes serious eye damage 严重伤害眼睛
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSAM9654000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • 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。
  • 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。
  • P305+P351+P338
Signal word
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
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
  • R25 Toxic if swallowed 吞咽有毒
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture Air & Moisture Sensitive {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed st
UN Number UN 2811 6.1/PG 3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 450 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
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       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MEXPAG Medicina Experimentalis.  (Basel, Switzerland)  V.1-11, 1959-64;
   V.18-19, 1968-69.  For publisher information, see JNMDBO.
   Volume(issue)/page/year: 11,137,1964

Packing GroupIII

其他信息

  • 苯乙酮肟价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0807 苯乙酮肟 Acetophenone Oxime 25G 420元 2010/05/25 A11804 苯乙酮肟, 98% Acetophenone oxime, 98% 50g 1210元 2010/05/25 A11804 苯乙酮肟, 98% Acetophenone oxime, 98% 250g 4844元
  • MSDS 信息:Acetophenone oxime(613-91-2).msds
  • TCI Shanghai:苯乙酮肟 Acetophenone Oxime,>;98.0%(GC)(N)(613-91-2)
  • 储运特性:库房通风低温干燥
  • 毒性分级:中毒
  • 可燃性危险特性:可燃; 加热分解释放有毒氮氧化物烟雾
  • Acros Organics:苯乙酮肟 Acetophenone oxime, pure, 98%(613-91-2)
  • Alfa Aesar:苯乙酮肟,98% Acetophenone oxime, 98%(613-91-2)
  • MOL 文件:613-91-2.mol
  • Sigma Aldrich:613-91-2(sigmaaldrich)
  • 图谱信息:苯乙酮肟(613-91-2)核磁图( 13 CNMR) 苯乙酮肟(613-91-2)质谱(MS) 苯乙酮肟(613-91-2)红外图谱(IR1) 苯乙酮肟(613-91-2)红外图谱(IR2) 苯乙酮肟(613-91-2)核磁图( 1 HNMR)
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 急性毒性:口服- 小鼠 LD50: 2000 毫克/ 公斤
  • 海关编码:29280090
  • 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. Nitrogen Compounds 氮化合物
  5. Oximes - Nitrogen Compounds