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Retrosynthesis · AI + evidence

O-Dinitrobenzene (C6H4N2O4)

O-Dinitrobenzene (C6H4N2O4; CAS 528-29-0) is a practical retrosynthesis target. O-Dinitrobenzene presents a C6 framework, aromatic rings, a nitro group. Open AI route search in one click below.

Target
O-Dinitrobenzene
CAS
528-29-0
Formula
C6H4N2O4
Approx. MW
168.11
SMILES
O=[N+]([O-])c1ccccc1[N+](=O)[O-]
PubChem CID
10707
Approx. carbons
C6

O-Dinitrobenzene structure

Properties

IUPAC name
1,2-dinitrobenzene
Common names
1,2-Dinitrobenzene; 528-29-0; O-DINITROBENZENE; 1,2-Dinitrobenzol; Benzene, o-dinitro-; ortho-Dinitrobenzene; Benzene, 1,2-dinitro-; DTXSID4024066; 35XUO924Y0; NSC-60682
Molecular weight
168.11
Exact mass
168.02
InChIKey
IZUKQUVSCNEFMJ-UHFFFAOYSA-N
Melting point
244.4 °F (USCG, 1999)
Boiling point
606 °F at 760 mmHg (USCG, 1999)
Density
1.31 at 68 °F (USCG, 1999) - Denser than water; will sink

View on PubChem

O-Dinitrobenzene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of O-Dinitrobenzene?

O-Dinitrobenzene has molecular formula C6H4N2O4. Molecular weight about 168.11 g·mol⁻¹.

What is the CAS number of O-Dinitrobenzene?

The CAS Registry Number for O-Dinitrobenzene is 528-29-0.

Run AI retrosynthesis for O-Dinitrobenzene Target catalog AI tools overview

Open the planner with O-Dinitrobenzene preloaded, then keep routes that match CAS 528-29-0.

Related targets

Similar compounds

M-Dinitrobenzene1-Bromo-2-nitrobenzene1-Bromo-3-nitrobenzene1-Bromo-4-nitrobenzene1-Chloro-3-nitrobenzene1-Iodo-3-nitrobenzene

Browse the full target catalog

References & tools