Home Nitro Compounds 577-71-9
577-71-9,MFCD00143065
Catalog No.:AA003IG9
577-71-9 | 3,4-Dinitrophenol
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500mg
4 weeks  
$250.00   $175.00
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1g
4 weeks  
$313.00   $219.00
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2g
4 weeks  
$415.00   $290.00
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5g
4 weeks  
$686.00   $480.00
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10g
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$1,011.00   $708.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IG9
Chemical Name:
3,4-Dinitrophenol
CAS Number:
577-71-9
Molecular Formula:
C6H4N2O5
Molecular Weight:
184.1064
MDL Number:
MFCD00143065
IUPAC Name:
3,4-dinitrophenol
InChI:
InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H
InChI Key:
AKLOLDQYWQAREW-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
209-415-3
UNII:
I108F156M4
Properties
Computed Properties
 
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.107g/mol
Monoisotopic Mass:
184.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3,4-DINITROPHENOL 
577-71-9 
BRN 1969398 
CHEBI:39358 
AKLOLDQYWQAREW-UHFFFAOYSA-N 
I108F156M4 
DNX 
zlchem 950 
3,4-dinitro phenol 
ACMC-1AY8J 
AC1L1X5V 
4-06-00-01384 (Beilstein Handbook Reference) 
Phenol, 3,4-dinitro- 
SCHEMBL213758 
CHEMBL3347427 
CTK1H3308 
DTXSID80206407 
ZLD0416 
BCP25455 
ZINC4521448 
8530AB 
AKOS015888235 
FCH1118138 
3,4-Dinitrofenol 
AJ-51414 
AN-46037 
CC-13312 
AX8082178 
DB-021953 
LS-104568 
TC-169994 
FT-0632424 
A831591 
C-07184 
3,4-DNP 
I01-0816 
3,4-Dinitrophenol, moistened with water, >=97.0% (HPLC) 
C6H4N2O5 
C6-H4-N2-O5 
CID11348 
6,5-Dinitrophenol 
CCRIS 3105 
3,4-Dinitrofenol [Czech] 
UNII-I108F156M4 
EINECS 209-415-3 
Literature

Title: Combined experimental and theoretical study on hydrogen-bonded complexes between cyclic ketones, lactones, and lactams with 3,4-dinitrophenol.

Journal: The journal of physical chemistry. A 20091231

Title: Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole.

Journal: PLoS biology 20060401

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: Dynamic liquid-liquid-liquid microextraction with automated movement of the acceptor phase.

Journal: Analytical chemistry 20050315

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