Nitroethane (C2H5NO2)

Nitroethane presents a C2 framework, a nitro group (formula C2H5NO2, CAS 79-24-3). ChemicalTool Reaction can propose ranked disconnections for Nitroethane from the SMILES CC[N+](=O)[O-].

Target: Nitroethane
CAS: 79-24-3
Formula: C2H5NO2
Approx. MW: 75.07
SMILES: CC[N+](=O)[O-]
PubChem CID: 6587
Approx. carbons: C2

Nitroethane structure

Properties

IUPAC name: 1-nitroethane
Common names: NITROETHANE; Ethane, nitro-; 79-24-3; Nitroetan; Nitroethan; DTXSID8020969; 6KEL3ZAU0V; NSC-8800; DTXCID80969; CHEBI:16268
Molecular weight: 75.07
Exact mass: 75.03
InChIKey: MCSAJNNLRCFZED-UHFFFAOYSA-N
Melting point: -130 °F (NTP, 1992)
Boiling point: 239 °F at 760 mmHg (NTP, 1992)
Density: 1.05 at 68 °F (USCG, 1999) - Denser than water; will sink

View on PubChem

Nitroethane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Nitroethane?

Nitroethane has molecular formula C2H5NO2. Molecular weight about 75.07 g·mol⁻¹.

What is the CAS number of Nitroethane?

The CAS Registry Number for Nitroethane is 79-24-3.

Run AI retrosynthesis for Nitroethane Target catalog AI tools overview

Open the planner with Nitroethane preloaded, then keep routes that match CAS 79-24-3.

Related targets

Similar compounds

Ethyl Nitrate 2-Methyl-2-Nitro-1-Propanol Nitromethane 1-Nitrohexane 5-Nitropyrimidin-2-amine 1-Bromo-2-nitrobenzene

Browse the full target catalog

References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.