1-Chloro-2-methyl-2-propanol (C4H9ClO)

1-Chloro-2-methyl-2-propanol presents a C4 framework, halogen substitution (formula C4H9ClO, CAS 558-42-9). ChemicalTool Reaction can propose ranked disconnections for 1-Chloro-2-methyl-2-propanol from the SMILES CC(C)(O)CCl.

Target: 1-Chloro-2-methyl-2-propanol
CAS: 558-42-9
Formula: C4H9ClO
Approx. MW: 108.57
SMILES: CC(C)(O)CCl
PubChem CID: 68409
Approx. carbons: C4

1-Chloro-2-methyl-2-propanol structure

Properties

IUPAC name: 1-chloro-2-methylpropan-2-ol
Common names: 1-Chloro-2-methyl-2-propanol; 1-Chloro-2-methylpropan-2-ol; EINECS 209-196-4; JNOZGFXJZQXOSU-UHFFFAOYSA-; DTXSID20204381; 1Chloro2methylpropan2ol; RefChem:431242; DTXCID20126872; 209-196-4; InChI=1/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3
Molecular weight: 108.57
Exact mass: 108.03
InChIKey: JNOZGFXJZQXOSU-UHFFFAOYSA-N

View on PubChem

1-Chloro-2-methyl-2-propanol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Chloro-2-methyl-2-propanol?

1-Chloro-2-methyl-2-propanol has molecular formula C4H9ClO. Molecular weight about 108.57 g·mol⁻¹.

What is the CAS number of 1-Chloro-2-methyl-2-propanol?

The CAS Registry Number for 1-Chloro-2-methyl-2-propanol is 558-42-9.

Run AI retrosynthesis for 1-Chloro-2-methyl-2-propanol Target catalog AI tools overview

Open the planner with 1-Chloro-2-methyl-2-propanol preloaded, then keep routes that match CAS 558-42-9.

Related targets

Similar compounds

(Chloromethyl)cyclopropane (Iodomethyl)trimethylsilane 1-(Chloromethoxy)-2-methoxyethane 1-Bromo-2-methylpropane 1-Bromo-3-chloro-2-methylpropane 1-Bromobutane

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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.