Ethyl nitrate (C2H5NO3)

Ethyl Nitrate presents a C2 framework, a nitro group (formula C2H5NO3, CAS 625-58-1). ChemicalHelper Reaction can propose ranked disconnections for Ethyl Nitrate from the SMILES CCO[N+](=O)[O-].

Target: Ethyl nitrate
CAS: 625-58-1
Formula: C2H5NO3
Approx. MW: 91.07
SMILES: CCO[N+](=O)[O-]
PubChem CID: 12259
Approx. carbons: C2

Ethyl nitrate structure

Properties

IUPAC name: ethyl nitrate
Common names: ETHYL NITRATE; 625-58-1; Nitric ether; Nitric acid, ethyl ester; Ethylester kyseliny dusicne; E1ZT886LR5; NSC-8826; DTXSID0060806; RefChem:139016; DTXCID7043374
Molecular weight: 91.07
Exact mass: 91.03
InChIKey: IDNUEBSJWINEMI-UHFFFAOYSA-N
Melting point: -94.6 °C
Boiling point: 87.2 °C @ 762 mm Hg
Density: 1.1084 @ 20 °C/4 °C

View on PubChem

Ethyl nitrate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl nitrate?

Ethyl nitrate has molecular formula C2H5NO3. Molecular weight about 91.07 g·mol⁻¹.

What is the CAS number of Ethyl nitrate?

The CAS Registry Number for Ethyl nitrate is 625-58-1.

Run AI retrosynthesis for Ethyl nitrate Target catalog AI tools overview

Open the planner with Ethyl nitrate preloaded, then keep routes that match CAS 625-58-1.

Related targets

Similar compounds

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

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References & tools

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