Home Nitro Compounds 5460-31-1
5460-31-1,MFCD00007241
Catalog No.:AA003HJY

5460-31-1 | 2-Methyl-3-nitrophenol

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1g
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$14.00   $10.00
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5g
98%
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$17.00   $12.00
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10g
98%
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$21.00   $15.00
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25g
98%
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$25.00   $18.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HJY
Chemical Name:
2-Methyl-3-nitrophenol
CAS Number:
5460-31-1
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD00007241
SMILES:
[O-][N+](=O)c1cccc(c1C)O
NSC Number:
25009
Properties
Properties
 
BP:
269.5°C at 760 mmHg  
Form:
Solid  
MP:
146-148 °C(lit.)  
Refractive Index:
1.5744 (estimate)  
Solubility:
95% ethanol: soluble50mg/mL  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
154  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
XLogP3:
2.1  

Upstream Synthesis Route

[1]Patent:EP1403255,2004,A1,

[1]JournaloftheChemicalSociety,1930,p.1699,1707

[2]Patent:WO2011/69951,2011,A1,

[3]BioorganicandMedicinalChemistry,2014,vol.22,#4,p.1441-1449

[1]Chemistry-AEuropeanJournal,2009,vol.15,#12,p.2742-2746

[2]ChemischeBerichte,1884,vol.17,p.1959

[3]ChemischeBerichte,1904,vol.37,p.1021

[4]Tetrahedron,1968,vol.24,p.6093-6109

[1]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1987,vol.26,#1-12,p.272-273

[2]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1987,vol.26,#1-12,p.272-273

[3]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1993,vol.32,#2,p.266-274

[4]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1992,vol.31,#7,p.464-466

[5]IndianJournalofChemistry,SectionB:OrganicChemistryIncludingMedicinalChemistry,1992,vol.31,#7,p.464-466

[1]ChemischeBerichte,1904,vol.37,p.1021

Downstream Synthesis Route

[1]Patent:US5952362,1999,A

[2]Patent:EP887346,1998,A2

[3]EuropeanJournalofMedicinalChemistry,2017,vol.125,p.87-100

[4]Patent:KR2017/31307,2017,A.Locationinpatent:Paragraph0182-0184

[5]JournalofMedicinalChemistry,2010,vol.53,p.1964-1978

[6]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.7170-7174

[7]AppliedOrganometallicChemistry,2019,vol.33

[8]ChemischeBerichte,1884,vol.17,p.1959

[9]ChemischeBerichte,1904,vol.37,p.1021

[10]JournalofOrganicChemistry,1989,vol.54,p.3740-3744

[11]ChemicalCommunications,2005,p.2026-2028

[12]Patent:US4579951,1986,A

[1]JournaloftheChemicalSociety,1915,vol.107,p.833

[2]JournaloftheChemicalSociety,1915,vol.107,p.833

[1]Patent:US2009/12123,2009,A1.Locationinpatent:Page/Pagecolumn9-10

[2]Patent:WO2005/117909,2005,A2.Locationinpatent:Page/Pagecolumn119

[3]JournaloftheChemicalSociety,1948,p.1605,1608

[4]Heterocycles,1981,vol.16,p.1119-1124

[5]Patent:EP1870099,2007,A1.Locationinpatent:Page/Pagecolumn14

[6]Patent:WO2017/62581,2017,A1.Locationinpatent:Paragraph0209

[1]Lu,Hai-Hua;Liu,Hui;Wu,Wei;Wang,Xu-Fan;Lu,Liang-Qiu;Xiao,Wen-Jing[Chemistry-AEuropeanJournal,2009,vol.15,#12,p.2742-2746]

[2]Stubba,Daniel;Bensinger,Dennis;Steinbacher,Janika;Proskurjakov,Lilia;SalcedoGómez,Álvaro;Schmidt,Uwe;Roth,Stefan;Schmitz,Katja;Schmidt,Boris[ChemMedChem,2019,vol.14,#23,p.2005-2022]

[3]Ullmann[ChemischeBerichte,1884,vol.17,p.1959]

[4]Noelting[ChemischeBerichte,1904,vol.37,p.1021]

[5]Beckett,A.H.etal.[Tetrahedron,1968,vol.24,p.6093-6109]

[1]JournaloftheChemicalSociety,1932,p.1792,1795

[2]JournaloftheChemicalSociety,1915,vol.107,p.833

[3]HelveticaChimicaActa,1924,vol.7,p.698

[4]JournaloftheChemicalSociety,1930,p.1699,1707

[5]Tetrahedron,1968,vol.24,p.6093-6109

Literature

Title: Vibrational study, first hyperpolarizability and HOMO-LUMO analyses on the structure of 2-hydroxy-6-nitro toluene.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601

Title: Spatial and geographical variations of urban, suburban and rural atmospheric concentrations of phenols and nitrophenols.

Journal: Environmental science and pollution research international 20060301

Title: Difficult macrocyclizations: new strategies for synthesizing highly strained cyclic tetrapeptides.

Journal: Organic letters 20030724

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Tags:5460-31-1 Molecular Formula|5460-31-1 MDL|5460-31-1 SMILES|5460-31-1 2-Methyl-3-nitrophenol