Propylene dichloride (C3H6Cl2)

Propylene dichloride presents a C3 framework, halogen substitution (formula C3H6Cl2, CAS 78-87-5). ChemicalTool Reaction can propose ranked disconnections for Propylene dichloride from the SMILES CC(Cl)CCl.

Target: Propylene dichloride
CAS: 78-87-5
Formula: C3H6Cl2
Approx. MW: 112.98
SMILES: CC(Cl)CCl
PubChem CID: 6564
Approx. carbons: C3

Propylene dichloride structure

Properties

IUPAC name: 1,2-dichloropropane
Molecular weight: 112.98
Exact mass: 111.98
InChIKey: KNKRKFALVUDBJE-UHFFFAOYSA-N
Melting point: -148 °F (NTP, 1992)
Boiling point: 203 to 205 °F at 760 mmHg (NTP, 1992)
Density: 1.158 at 68 °F (USCG, 1999) - Denser than water; will sink

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Propylene dichloride 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Propylene dichloride?

Propylene dichloride has molecular formula C3H6Cl2. Molecular weight about 112.98 g·mol⁻¹.

What is the CAS number of Propylene dichloride?

The CAS Registry Number for Propylene dichloride is 78-87-5.

Run AI retrosynthesis for Propylene dichloride Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C3H6Cl2.

Related targets

Similar compounds

Dimethyldichloromethane Trimethylene dichloride (Bromomethyl)chlorodimethylsilane 1-Bromo-2-methoxyethane 1-Bromo-3-Chloropropane 1-Bromopropane

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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.