4-Chlorotetrahydro-2H-pyran

C₅H₉ClOCAS 1768-64-5120.58 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₅H₉ClO
Molar mass: 120.58 g/mol
Exact mass: 120.0342 Da
Density: 1.12 g/mL (at 22 °C)
Boiling point: 46 °C (at 12 Torr)
logP: 1.40Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation95.5% of notifiers
H319 Causes serious eye irritation95.5% of notifiers
H335 May cause respiratory irritation93.2% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1768-64-5

SMILES

ClC1CCOCC1

InChIKey

DHRSKOBIDIDMJZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H9ClO/c6-5-1-3-7-4-2-5/h5H,1-4H2

Weigh it out

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

Names and synonyms

4 names

2H-Pyran, 4-chlorotetrahydro-
Pyran, 4-chlorotetrahydro-
4-Chlorotetrahydropyran
4-Chlorooxacyclohexane

Work with 4-Chlorotetrahydro-2H-pyran

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

Chlorocyclobutane1120-57-647 % similar Chlorocyclopentane930-28-947 % similar Chlorocycloheptane2453-46-544 % similar Cyclohexyl chloride542-18-744 % similar Tetrahydro-4H-pyran-4-ol2081-44-940 % similar 4-Bromotetrahydropyran25637-16-540 % similar 4-Iodotetrahydro-2H-pyran25637-18-740 % similar 4-Aminotetrahydropyran38041-19-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isovaleryl chloride108-12-3 2-Chloromethyl tetrahydrofuran3003-84-7 Pivaloyl chloride3282-30-2 5-Chloro-2-pentanone5891-21-4 Pentanoyl chloride638-29-9

Elsewhere

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