4-Picoline-N-oxide, 95% 4-甲基吡啶-N-氧化物

CAS 1003-67-4 MFCD00006210

化学结构图

1003-67-4
SMILES: Cc1cc[n+]([O-])cc1

化学属性

Mol. FormulaC6H7NO
Mol. Weight109
Flash Point149°(300°F)
TSCAYes
Boiling Point152°/11mm
Melting Point182.0 to 186.0 deg-C
Solubility可溶
Appearance 白色至淡黄色晶体,熔点 182-186°C,闪点 149°C,水溶性 soluble

别名和识别编码

Chemical Name4-Picoline-N-oxide, 95%
MDL NumberMFCD00006210
Synonym 4-Methyl Piridine 1-oxide (4-Picoline-N-oxide) 4-Methylpyridine N-oxide 4-PICOLINE-N-OXIDE 4-methyl-pyridin1-oxide 4-methyl-pyridine-1-oxide 4-picoline-oxide 4-甲基吡啶-N-氧化物 4-甲基吡啶氧化物 N-OXIDE OF 4-METHYL PYRIDINE Pyridine,4-methyl-,1-oxide γ-Picoline 1-oxide
EC Number213-712-3
CAS Number1003-67-4
Beilstein Registry Number106329
PubChem Substance ID13857
Chemical Name Translation4-甲基吡啶-N-氧化物
Reaxys-RN106329
Wiswesser Line NotationT6NJ AO D1
LabNetwork Molecule IDLN00195354
InChIInChI=1S/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
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分类

  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {uni_hamburg} no charge; nitrogen heterocycle; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different br

安全信息

RTECSUT5800000
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;
  • S37 Wear suitable gloves 戴适当手套;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
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
Storage condition Hygroscopic
WGK Germany1
GHS Symbol
Hazard statements
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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。
  • 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
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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)。
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1242 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOXIA6 Toxicon.  (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW,
   UK)  V.1-    1962-  Volume(issue)/page/year: 23,815,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - quail
DOSE/DURATION           : 750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

其他信息

  • MOL 文件:1003-67-4.mol
  • Acros Organics:4-甲基吡啶-N-氧化物 4-Picoline-N-oxide, 98%(1003-67-4)
  • 4-甲基吡啶氧化物价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0420 4-甲基吡啶N-氧化物 4-Methylpyridine N-Oxide 25G 409元 2010/06/21 131161000 4-甲基吡啶氧化物 4-Picoline-N-oxide 98% 100 GR 682元 2010/05/25 A17330 4-甲基吡啶-N-氧化物, 98% 4-Picoline N-oxide, 98% 25g 251元
  • Sigma Aldrich:1003-67-4(sigmaaldrich)
  • F:3
  • TCI Shanghai:4-甲基吡啶 N-氧化物 4-Picoline N-Oxide,>;98.0%(GC)(1003-67-4)
  • 敏感性:Hygroscopic
  • 海关编码:29333999
  • 图谱信息:4-甲基吡啶氧化物(1003-67-4)质谱(MS) 4-甲基吡啶氧化物(1003-67-4)核磁图( 1 HNMR) 4-甲基吡啶氧化物(1003-67-4)红外图谱(IR1) 4-甲基吡啶氧化物(1003-67-4)红外图谱(IR2) 4-甲基吡啶氧化物(1003-67-4)红外图谱(IR3)
  • MSDS 信息:4-Methylpyridine 1-oxide(1003-67-4).msds
  • Alfa Aesar:4-甲基吡啶-N-氧化物,98% 4-Picoline N-oxide, 98%(1003-67-4)

系列性分类


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