Home Nitro Compounds 627-67-8
627-67-8,MFCD18910255
Catalog No.:AA00F2Z9

627-67-8 | 3-Methyl-1-nitrobutane

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100mg
97%
1 week  
$189.00   $133.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00F2Z9
Chemical Name:
3-Methyl-1-nitrobutane
CAS Number:
627-67-8
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
MDL Number:
MFCD18910255
SMILES:
CC(CC[N+](=O)[O-])C
Properties
Properties
 
BP:
163.5°C  
Form:
Solid  
MP:
97°C  
Refractive Index:
1.4153  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
75  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Bachman;Atwood[JournaloftheAmericanChemicalSociety,1956,vol.78,p.484]

[2]Bachman;Atwood[JournaloftheAmericanChemicalSociety,1956,vol.78,p.484]

[1]Locationinpatent:experimentalpartAsada,Masaki;Obitsu,Tetsuo;Nagase,Toshihiko;Tanaka,Motoyuki;Yamaura,Yoshiyuki;Takizawa,Hiroya;Yoshikawa,Ken;Sato,Kazutoyo;Narita,Masami;Ohuchida,Shuichi;Nakai,Hisao;Toda,Masaaki[BioorganicandMedicinalChemistry,2010,vol.18,#1,p.80-90]

[2]Meyer,V.[JustusLiebigsAnnalenderChemie,1874,vol.171,p.43][JustusLiebigsAnnalenderChemie,1875,vol.175,p.135]

[3]Kornblumetal.[JournaloftheAmericanChemicalSociety,1954,vol.76,p.3209]Kornblum;Ungnade[OrganicSyntheses,Collective]

[1]Tarnus,Celine;Remy,Jean-Marc;D'Orchymont,Hugues[BioorganicandMedicinalChemistry,1996,vol.4,#8,p.1287-1297]

[2]Marčeková,Michaela;Gerža,Peter;Šoral,Michal;Moncol,Ján;Berkeš,Dušan;Kolarovič,Andrej;Jakubec,Pavol[OrganicLetters,2019,vol.21,#12,p.4580-4584]

[3]Mailhe;Bellegarde[BulletindelaSocieteChimiquedeFrance,1919,vol.<4>25,p.590]Mailhe[AnnalesdeChimie(Cachan,France),1920,vol.<9>13,p.210][Caoutch.Guttap.,vol.15,p.9550][ChemischesZentralblatt,1920,vol.91,#I,p.115]

[4]Plummer;Drake[JournaloftheAmericanChemicalSociety,1954,vol.76,p.2720]

[1]Feger,Harry;Simchen,Gerhard[LiebigsAnnalenderChemie,1986,#3,p.428-437]

[1]Solladie-Cavallo,A.;Khiar,N.[JournalofOrganicChemistry,1990,vol.55,#15,p.4750-4754]

Literature
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SDS
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