Chloroacetic acid (C2H3ClO2)

chloroacetic acid presents a C2 framework, a carboxylic acid, halogen substitution (formula C2H3ClO2, CAS 79-11-8). ChemicalHelper Reaction can propose ranked disconnections for chloroacetic acid from the SMILES O=C(O)CCl.

Target: Chloroacetic acid
CAS: 79-11-8
Formula: C2H3ClO2
Approx. MW: 94.49
SMILES: O=C(O)CCl
PubChem CID: 300
Approx. carbons: C2

Chloroacetic acid structure

Properties

IUPAC name: 2-chloroacetic acid
Common names: chloroacetic acid; Monochloroacetic acid; 79-11-8; Chloracetic acid; 2-chloroacetic acid; Chloroethanoic acid; Acetic acid, chloro-; Acide chloracetique; Monochloroethanoic acid; Monochloracetic acid
Molecular weight: 94.50
Exact mass: 93.98
InChIKey: FOCAUTSVDIKZOP-UHFFFAOYSA-N
Melting point: 145 °F (EPA, 1998)
Boiling point: 372 °F at 760 mmHg (EPA, 1998)
Density: 1.4043 at 104 °F (EPA, 1998) - Denser than water; will sink

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Chloroacetic acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Chloroacetic acid?

Chloroacetic acid has molecular formula C2H3ClO2. Molecular weight about 94.49 g·mol⁻¹.

What is the CAS number of Chloroacetic acid?

The CAS Registry Number for Chloroacetic acid is 79-11-8.

Run AI retrosynthesis for Chloroacetic acid Target catalog AI tools overview

Open the planner with Chloroacetic acid preloaded, then keep routes that match CAS 79-11-8.

Related targets

Similar compounds

Bromoacetic Acid Dichloroacetic Acid Difluoroacetic Acid 2-(Bromomethyl)acrylic acid 2-(Trifluoromethyl)acrylic acid 2-Bromo-2-methylpropanoic acid

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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.