Chloral (C2HCl3O)

Chloral presents a C2 framework, halogen substitution (formula C2HCl3O, CAS 75-87-6). ChemicalHelper Reaction can propose ranked disconnections for Chloral from the SMILES O=CC(Cl)(Cl)Cl.

Target: Chloral
CAS: 75-87-6
Formula: C2HCl3O
Approx. MW: 147.38
SMILES: O=CC(Cl)(Cl)Cl
PubChem CID: 6407
Approx. carbons: C2

Chloral structure

Properties

IUPAC name: 2,2,2-trichloroacetaldehyde
Common names: CHLORAL; Trichloroacetaldehyde; 2,2,2-Trichloroacetaldehyde; 75-87-6; Acetaldehyde, trichloro-; Trichloroethanal; Anhydrous chloral; Grasex; Cloralio; TRI-CHLORO-ACETALDEHYDE
Molecular weight: 147.38
Exact mass: 145.91
InChIKey: HFFLGKNGCAIQMO-UHFFFAOYSA-N
Melting point: -71.5 °F (NTP, 1992)
Boiling point: 208 °F at 760 mmHg (NTP, 1992)
Density: 1.51 at 68 °F (NTP, 1992) - Denser than water; will sink

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Chloral 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Chloral?

Chloral has molecular formula C2HCl3O. Molecular weight about 147.38 g·mol⁻¹.

What is the CAS number of Chloral?

The CAS Registry Number for Chloral is 75-87-6.

Run AI retrosynthesis for Chloral Target catalog AI tools overview

Open the planner with Chloral preloaded, then keep routes that match CAS 75-87-6.

Related targets

Similar compounds

1-Bromo-2-Chloroethane 1-Chloro-2-fluoroethane 1-Chloro-2-iodoethane 2-chloroethanol 2-Fluoroethyl bromide Acetyl Iodide

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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.