CAS 1528-74-1 | 4,4'-Dinitro-1,1'-biphenyl | CAS Number 1528-74-1

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1528-74-1 | 4,4'-Dinitro-1,1'-biphenyl

CAS No: 1528-74-1 Catalog No: AG003KG9 MDL No:MFCD00039744

Product Description

Catalog Number:

AG003KG9

Chemical Name:

4,4'-Dinitro-1,1'-biphenyl

CAS Number:

1528-74-1

Molecular Formula:

C12H8N2O4

Molecular Weight:

244.2029

MDL Number:

MFCD00039744

IUPAC Name:

1-nitro-4-(4-nitrophenyl)benzene

InChI:

InChI=1S/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H

InChI Key:

BDLNCFCZHNKBGI-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]

EC Number:

216-210-2

UNII:

6X8N704C9U

NSC Number:

8738

Properties

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.206g/mol

Monoisotopic Mass:

244.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Co-crystals: a novel approach to modify physicochemical properties of active pharmaceutical ingredients.	Indian journal of pharmaceutical sciences 20090101
Interpretation of mixed-valence compound optical spectra near the class II/III border: dinitrobiphenyl and dinitrophenanthrene radical anions.	The journal of physical chemistry. A 20081211
Optical spectra of delocalized dinitroaromatic radical anions revisited.	Journal of the American Chemical Society 20050803
Benzidine photodegradation: a mass spectrometry and UV spectroscopy combined study.	Rapid communications in mass spectrometry : RCM 20050101
Bisguanidine, bis(2-aminoimidazoline), and polyamine derivatives as potent and selective chemotherapeutic agents against Trypanosoma brucei rhodesiense. Synthesis and in vitro evaluation.	Journal of medicinal chemistry 20040422
Intervalence near-IR spectra of delocalized dinitroaromatic radical anions.	Journal of the American Chemical Society 20031015