Isopropyl chloroformate (C4H7ClO2)

Isopropyl chloroformate presents a C4 framework, halogen substitution (formula C4H7ClO2, CAS 108-23-6). ChemicalTool Reaction can propose ranked disconnections for Isopropyl chloroformate from the SMILES CC(C)OC(=O)Cl.

Target: Isopropyl chloroformate
CAS: 108-23-6
Formula: C4H7ClO2
Approx. MW: 122.55
SMILES: CC(C)OC(=O)Cl
PubChem CID: 7917
Approx. carbons: C4

Isopropyl chloroformate structure

Properties

IUPAC name: propan-2-yl carbonochloridate
Common names: Isopropyl chloroformate; 108-23-6; ISOPROPYL CHLOROCARBONATE; Chloroformic acid isopropyl ester; Carbonochloridic acid, 1-methylethyl ester; Isopropyl chloromethanoate; Formic acid, chloro-, isopropyl ester; 1-methylethyl chloroformate; 2-propyl chloroformate; UN2407
Molecular weight: 122.55
Exact mass: 122.01
InChIKey: IVRIRQXJSNCSPQ-UHFFFAOYSA-N
Melting point: -80 °C
Boiling point: 220 °F at 761 mmHg (EPA, 1998)
Density: 1.08 (EPA, 1998) - Denser than water; will sink

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Isopropyl chloroformate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isopropyl chloroformate?

Isopropyl chloroformate has molecular formula C4H7ClO2. Molecular weight about 122.55 g·mol⁻¹.

What is the CAS number of Isopropyl chloroformate?

The CAS Registry Number for Isopropyl chloroformate is 108-23-6.

Run AI retrosynthesis for Isopropyl chloroformate Target catalog AI tools overview

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Related targets

Similar compounds

2-(Chloromethyl)-m-dioxane Ethyl Chloroacetate Propyl chloroformate (Chloromethyl)cyclopropane (Iodomethyl)trimethylsilane 1-(Chloromethoxy)-2-methoxyethane

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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.