Home Nitro Compounds 23876-13-3
23876-13-3,MFCD00007166
Catalog No.:AA003HJX

23876-13-3 | 2-Methyl-3-nitrobenzyl alcohol

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250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$9.00   $7.00
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5g
95%
in stock  
$22.00   $16.00
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25g
97%
in stock  
$92.00   $64.00
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100g
97%
in stock  
$365.00   $256.00
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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:
AA003HJX
Chemical Name:
2-Methyl-3-nitrobenzyl alcohol
CAS Number:
23876-13-3
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007166
SMILES:
OCc1cccc(c1C)[N+](=O)[O-]
Properties
Properties
 
BP:
323.2°C at 760 mmHg  
Form:
Solid  
MP:
69-73 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
166  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Upstream Synthesis Route

[1]OrganicProcessResearchandDevelopment,2012,vol.16,#5,p.1082-1089

[1]Patent:CN105237317,2016,A,.Locationinpatent:Paragraph0077;0078

[1]JournalofMedicinalChemistry,1985,vol.28,#10,p.1533-1536

[2]Patent:WO2006/123356,2006,A1,.Locationinpatent:Page/Pagecolumn21

[3]EuropeanJournalofMedicinalChemistry,1995,vol.30,#12,p.973-982

[4]HelveticaChimicaActa,1948,vol.31,p.65,74

[5]Patent:WO2013/162072,2013,A1,.Locationinpatent:Page/Pagecolumn938

[6]EuropeanJournalofMedicinalChemistry,2015,vol.101,p.651-667

[7]Patent:EP2927218,2015,A1,.Locationinpatent:Paragraph0826

[8]Patent:EP2940012,2015,A1,.Locationinpatent:Paragraph0808;0809

[1]AngewandteChemie-InternationalEdition,2005,vol.44,#9,p.1378-1382

[1]Patent:CN105237317,2016,A,.Locationinpatent:Paragraph0077;0078

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1985,vol.28,p.1533-1536

[2]Patent:WO2006/123356,2006,A1.Locationinpatent:Page/Pagecolumn21

[3]EuropeanJournalofMedicinalChemistry,1995,vol.30,p.973-982

[4]HelveticaChimicaActa,1948,vol.31,p.65,74

[5]Patent:WO2013/162072,2013,A1.Locationinpatent:Page/Pagecolumn938

[6]EuropeanJournalofMedicinalChemistry,2015,vol.101,p.651-667

[7]Patent:EP2927218,2015,A1.Locationinpatent:Paragraph0826

[8]Patent:EP2940012,2015,A1.Locationinpatent:Paragraph0808;0809

[1]JournaloftheChemicalSociety.PerkintransactionsI,1969,vol.14,p.1935-1939

[1]AngewandteChemie-InternationalEdition,2005,vol.44,p.1378-1382

[1]HelveticaChimicaActa,2006,vol.89,p.2987-3001

[1]Tetrahedron,2007,vol.63,p.6088-6114

Literature

Title: (2-Methyl-3-nitro-phen-yl)methanol.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

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