Pentachloroethane (C2HCl5)

Pentachloroethane (C2HCl5; CAS 76-01-7) is a practical retrosynthesis target. Pentachloroethane presents a C2 framework, halogen substitution. Open AI route search in one click below.

Target: Pentachloroethane
CAS: 76-01-7
Formula: C2HCl5
Approx. MW: 202.28
SMILES: ClC(Cl)C(Cl)(Cl)Cl
PubChem CID: 6419
Approx. carbons: C2

Pentachloroethane structure

Properties

IUPAC name: 1,1,1,2,2-pentachloroethane
Common names: PENTACHLOROETHANE; 76-01-7; 1,1,1,2,2-Pentachloroethane; Pentalin; Ethane pentachloride; Ethane, pentachloro-; Pentacloroetano; Pentachloraethan; Pentachlorethane; Pentachloorethaan
Molecular weight: 202.30
Exact mass: 201.85
InChIKey: BNIXVQGCZULYKV-UHFFFAOYSA-N
Melting point: -20 °F (NTP, 1992)
Boiling point: 324 °F at 760 mmHg (NTP, 1992)
Density: 1.6728 at 77 °F (USCG, 1999) - Denser than water; will sink

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Pentachloroethane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Pentachloroethane?

Pentachloroethane has molecular formula C2HCl5. Molecular weight about 202.28 g·mol⁻¹.

What is the CAS number of Pentachloroethane?

The CAS Registry Number for Pentachloroethane is 76-01-7.

Run AI retrosynthesis for Pentachloroethane Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C2HCl5.

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.