Home Nitro Compounds 66907-52-6
66907-52-6,MFCD00017005
Catalog No.:AA00FAMS

66907-52-6 | 3,4,5-Trimethoxy-2-nitrobenzoic acid

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1g
95%
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$112.00   $78.00
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5g
95%
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$411.00   $288.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FAMS
Chemical Name:
3,4,5-Trimethoxy-2-nitrobenzoic acid
CAS Number:
66907-52-6
Molecular Formula:
C10H11NO7
Molecular Weight:
257.1968
MDL Number:
MFCD00017005
SMILES:
COc1cc(C(=O)O)c(c(c1OC)OC)[N+](=O)[O-]
NSC Number:
100936
Properties
Properties
 
BP:
440 °C at 760 mmHg  
Form:
Solid  
MP:
166 °C  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
316  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Thoms;Siebeling[ChemischeBerichte,1911,vol.44,p.2116]

[2]Williams,K.I.H.etal.[JournaloftheAmericanChemicalSociety,1960,vol.82,p.3982-3988]

[3]Patel,VijayK.;Rajak,Harish[BioorganicandMedicinalChemistryLetters,2016,vol.26,#9,p.2115-2118]

[4]Liu,Fang;Huai,Ziyou;Xia,Guotai;Song,Liuping;Li,Sha;Xu,Yulan;Hong,Kangjun;Yao,Mingyue;Liu,Gang;Huang,Yinjiu[BioorganicandMedicinalChemistryLetters,2018,vol.28,#14,p.2561-2565]

[1]Liu,Fang;Huai,Ziyou;Xia,Guotai;Song,Liuping;Li,Sha;Xu,Yulan;Hong,Kangjun;Yao,Mingyue;Liu,Gang;Huang,Yinjiu[BioorganicandMedicinalChemistryLetters,2018,vol.28,#14,p.2561-2565]

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
Tags:66907-52-6 Molecular Formula|66907-52-6 MDL|66907-52-6 SMILES|66907-52-6 3,4,5-Trimethoxy-2-nitrobenzoic acid