Nitromethane (CH3NO2)

Looking for routes to Nitromethane? Nitromethane presents a C1 framework, a nitro group. Use the planner with prefilled SMILES, or copy C[N+](=O)[O-] (CAS 75-52-5).

Target: Nitromethane
CAS: 75-52-5
Formula: CH3NO2
Approx. MW: 61.04
SMILES: C[N+](=O)[O-]
PubChem CID: 6375
Approx. carbons: C1

Nitromethane structure

Properties

IUPAC name: nitromethane
Common names: NITROMETHANE; 75-52-5; Nitrocarbol; Methane, nitro-; Nitrometan; DTXSID2020977; RU5WG8C3F4; NSC-428; DTXCID40977; CHEBI:77701
Molecular weight: 61.04
Exact mass: 61.02
InChIKey: LYGJENNIWJXYER-UHFFFAOYSA-N
Melting point: -20 °F (NTP, 1992)
Boiling point: 214.2 °F at 760 mmHg (NTP, 1992)
Density: 1.139 at 68 °F (USCG, 1999) - Denser than water; will sink

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Nitromethane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Nitromethane?

Nitromethane has molecular formula CH3NO2. Molecular weight about 61.04 g·mol⁻¹.

What is the CAS number of Nitromethane?

The CAS Registry Number for Nitromethane is 75-52-5.

Run AI retrosynthesis for Nitromethane Target catalog AI tools overview

Open the planner with Nitromethane preloaded, then keep routes that match CAS 75-52-5.

Related targets

Similar compounds

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

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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.