3-Pyridinealdoxime 3-吡啶醛肟

CAS 1193-92-6 MFCD00006409

化学结构图

1193-92-6
SMILES: O/N=C/c1cccnc1

化学属性

Mol. FormulaC6H6N2O
Mol. Weight122.12
Melting Point150-153 °C
TSCANo
Boiling Point227.52 °C at 760 mmHg

别名和识别编码

Chemical Name3-Pyridinealdoxime
CAS Number1193-92-6
Alfabeta NameNICOTINALDEHYDEOXIME
MDL NumberMFCD00006409
PubChem Substance ID5324568
EC Number214-782-8
Synonym Nicotinaldehyde oxime {LY} Nicotinaldehyde oxime {} {LY} Nicotinaldehyde oxime {} {} {LY} Nicotinaldehyde oxime {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinaldehyde oxime {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nicotinal
Chemical Name Translation3-吡啶醛肟
Wiswesser Line NotationT6NJ B1UNQ
InChIKeyYBKOPFQCLSPTPV-VMPITWQZSA-N
InChIInChI=1S/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H/b8-5+
Canonical SMILESO/N=C/C1=CC=CN=C1
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {KO} Oximes

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • 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。
  • 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。
  • P301+P312
  • P302+P352
  • P304+P312
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • 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
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSUT4060000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
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
  • 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
Hazard Codes Xn
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 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: AD691-490

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
2
H-bond Donors
1
LogP
1

其他信息

  • Alfa Aesar:吡啶-3-甲醛肟,98% Pyridine-3-carboxaldoxime, 98%(1193-92-6)
  • 3-吡啶醛肟价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 131800250 3-吡啶醛肟 3-Pyridinealdoxime 98% 25 GR 950元 2010/06/21 131800050 3-吡啶醛肟 3-Pyridinealdoxime 98% 5 GR 301元 2010/05/25 B25679 吡啶-3-甲醛肟, 98% Pyridine-3-carboxaldoxime, 98% 25g 904元
  • Acros Organics:3-吡啶乙醛肟 3-Pyridinealdoxime, 98%(1193-92-6)
  • MOL 文件:1193-92-6.mol
  • 图谱信息:3-吡啶醛肟(1193-92-6)核磁图( 1 HNMR)
  • Sigma Aldrich:1193-92-6(sigmaaldrich)

系列性分类


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