Home Nitro Compounds 6271-79-0
6271-79-0,MFCD00024264
Catalog No.:AA003IAY
6271-79-0 | 3,3'-Dinitrobenzidine
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25g
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Technical Information
Catalog Number:
AA003IAY
Chemical Name:
3,3'-Dinitrobenzidine
CAS Number:
6271-79-0
Molecular Formula:
C12H10N4O4
Molecular Weight:
274.2322
MDL Number:
MFCD00024264
IUPAC Name:
4-(4-amino-3-nitrophenyl)-2-nitroaniline
InChI:
InChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2
InChI Key:
OCEINMLGYDSKFW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N
EC Number:
228-457-3
UNII:
7M226SQ8G9
NSC Number:
37067
Properties
Computed Properties
 
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.07g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.236g/mol
Monoisotopic Mass:
274.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
3,3'-Dinitrobenzidine 
6271-79-0 
3,3'-Dinitro-(1,1'-biphenyl)-4,4'-diamine 
7M226SQ8G9 
[1,1'-Biphenyl]-4,4'-diamine, 3,3'-dinitro- 
4-(4-amino-3-nitrophenyl)-2-nitroaniline 
3,3'-Dinitro(1,1'-biphenyl)-4,4'-diamine 
(1,1'-Biphenyl)-4,4'-diamine, 3,3'-dinitro- 
4-(4-amino-3-nitrophenyl)-2-nitrophenylamine 
3.3'-Dinitrobenzidin 
AC1Q50QG 
ACMC-1B2U6 
3,3'-dinitrobiphenyl-4,4'-diamine 
3,3-DINITROBENZIDINE 
CBDivE_002834 
MLS000712830 
SCHEMBL737722 
AC1MJ583 
CHEMBL1332082 
DTXSID8036861 
CTK5B5740 
OCEINMLGYDSKFW-UHFFFAOYSA- 
HMS2683J16 
Benzidine, 3,3'-dinitro- 
ALBB-025082 
NSC37067 
ZINC3877934 
ZX-AN023596 
3,3'-dinitro-4,4'-diaminobiphenyl 
ANW-34345 
BBL034682 
MFCD00024264 
NSC-37067 
SBB072191 
UNII-7M226SQ8G9 
STL426748 
4,4'-Diamino-3,3'-dinitrobiphenyl 
AKOS000601250 
3,3'-Dinitro-biphenyl-4,4'-diamine 
CCG-238561 
CS-W012336 
MCULE-8185686332 
TRA0085104 
NCGC00245119-01 
AS-47931 
CCRIS 6584 
BAS 00431390 
LS-32421 
SMR000282597 
DB-054260 
TC-123090 
D0822 
EU-0099875 
FT-0636057 
R1514 
ST45027679 
EINECS 228-457-3 
X3411 
4-(4-amino-3-nitro-phenyl)-2-nitro-aniline 
3,3 inverted exclamation mark -Dinitrobenzidine 
AB00585581-02 
[1,1'-Biphenyl]-4,4'-diamine,3,3'-dinitro- 
3,3'-Dinitro[1,1'-biphenyl]-4,4'-diamine # 
F0722-8814 
(1,1'-Biphenyl)-4,4'-diamine, 3,3'-dinitro- (9CI) 
InChI=1/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2 
2-Benzyloxyphenol 
3,3'-dinitro-[1,1'-biphenyl]-4,4'-diamine 
3,3/'-Dinitrobenzidine 
C12H10N4O4 
C12-H10-N4-O4 
CID3106720 
4-13-00-00387 (Beilstein Handbook Reference) 
3,3'-Dinitro[1,1'-biphenyl]-4,4'-diamine 
BRN 2817867 
OCEINMLGYDSKFW-UHFFFAOYSA-N 
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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