Home Nitro Compounds 528-45-0
528-45-0,MFCD00007255
Catalog No.:AA003IG7
528-45-0 | 3,4-Dinitrobenzoic acid
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Purity
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1g
98%
in stock  
$29.00   $20.00
- +
5g
98%
in stock  
$86.00   $60.00
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25g
98%(HPLC)
in stock  
$250.00   $175.00
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100g
98%
in stock  
$715.00   $500.00
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IG7
Chemical Name:
3,4-Dinitrobenzoic acid
CAS Number:
528-45-0
Molecular Formula:
C7H4N2O6
Molecular Weight:
212.1165
MDL Number:
MFCD00007255
IUPAC Name:
3,4-dinitrobenzoic acid
InChI:
InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)
InChI Key:
OMVRRHJJQILIJX-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc(ccc1N(=O)=O)C(=O)O
EC Number:
208-433-9
UNII:
0L3N4T0GPD
NSC Number:
60713
Properties
Computed Properties
 
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.007g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.117g/mol
Monoisotopic Mass:
212.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
3,4-DINITROBENZOIC ACID 
528-45-0 
0L3N4T0GPD 
MLS002693298 
OMVRRHJJQILIJX-UHFFFAOYSA-N 
3,4-dinitrobenzoate 
AE-562/43460137 
W-105792 
3,4-Di-nitro-benzoic acid 
zlchem 522 
PubChem4956 
3,4-DinitrobenzoicAcid 
Benzoic acid, 3,4-dinitro- 
3,4-Dinitro-benzoic acid 
ACMC-209l2a 
AC1L1VS5 
4-09-00-01242 (Beilstein Handbook Reference) 
KSC494A5T 
SCHEMBL504055 
CHEMBL1882824 
DTXSID1060180 
3,4-Dinitrobenzoic acid, 99% 
CTK3J4059 
UNII-0L3N4T0GPD 
KS-00000CBP 
ZLC0387 
HMS3094E19 
ACN-S004067 
ACT12231 
NSC60713 
STR05213 
ZINC4743013 
ZX-AT006501 
ACM528450 
CCRIS 3128 
ANW-31568 
EBD581159 
NSC-60713 
OR3469 
AKOS015889640 
CM12705 
MCULE-9804316172 
RP04826 
SB10518 
TRA0039100 
3,4-Dinitrobenzioc acid 
AC-26045 
AJ-52125 
AN-45586 
BC215442 
BP-10579 
CC-13309 
D141 
LS-37274 
SC-75959 
SMR001559255 
EINECS 208-433-9 
SY002679 
AX8004266 
DB-021951 
RT-001838 
3,4-Dinitrobenzoic acid, analytical standard 
D0823 
FT-0614389 
ST24041165 
MFCD00007255 (98%) 
A20328 
MFCD00007255 
Z-3327 
528D450 
C-11066 
I01-2736 
InChI=1/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11 
PHTHALONIC ACID 
Benzoic acid,4-dinitro- 
C7H4N2O6 
C7-H4-N2-O6 
CID10709 
NSC 60713 
3,4-Dinitrobenzoic acid, 99% - 100G 100g 
BRN 2055333 
Literature

Title: High-Z' and twinning behavior in 3,4-dinitrobenzoic acid.

Journal: Acta crystallographica. Section C, Crystal structure communications 20111001

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

Title: Modular approach toward supramolecular functional assemblies: characterization of Donor-spacer-acceptor ternary complexes.

Journal: The journal of physical chemistry. A 20050714

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