Oxane-4-carbonyl chloride

C₆H₉ClO₂CAS 40191-32-0148.59 g/mol

Open in Covalent MOL file

Acyl halide Ether

Properties

Molecular formula: C₆H₉ClO₂
Molar mass: 148.59 g/mol
Exact mass: 148.0291 Da
logP: 1.18Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage97.8% of notifiers
H412 Harmful to aquatic life with long lasting effects84.4% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

40191-32-0

SMILES

C1COCCC1C(=O)Cl

InChIKey

RYGUCYSSMOFTSH-UHFFFAOYSA-N

InChI

InChI=1S/C6H9ClO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Tetrahydro-2H-pyran-4-carbonyl chloride

Work with Oxane-4-carbonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclopropanecarbonyl chloride4023-34-167 % similar Cyclopentanecarbonyl chloride4524-93-061 % similar Cyclobutanecarbonyl chloride5006-22-461 % similar Cyclohexanecarbonyl chloride2719-27-958 % similar 2-Propylpentanoyl chloride2936-08-554 % similar 1-(Tetrahydro-2H-pyran-4-yl)ethanone137052-08-548 % similar Oxane-4-carboxylic acid5337-03-148 % similar 2-Ethylbutyryl chloride2736-40-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cyclopentyl chloroformate50715-28-1 Polyvinyl chloride acetate9003-22-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook