4-Chlorobutyraldehyde diethyl acetal

C₈H₁₇ClO₂CAS 6139-83-9180.67 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₈H₁₇ClO₂
Molar mass: 180.67 g/mol
Exact mass: 180.0917 Da
Boiling point: 89–92 °C (at 14 Torr)
logP: 2.40Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Hazards

Warning

H226 Flammable liquid and vapor50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

6139-83-9

SMILES

CCOC(CCCCl)OCC

InChIKey

JGGRHRMHOUWCDX-UHFFFAOYSA-N

InChI

InChI=1S/C8H17ClO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Butane, 4-chloro-1,1-diethoxy-
Butyraldehyde, 4-chloro-, diethyl acetal
4-Chloro-1,1-diethoxybutane
γ-Chlorobutyraldehyde diethyl acetal
4-Chlorobutanal diethyl acetal
NSC 96467

Work with 4-Chlorobutyraldehyde diethyl acetal

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

3-Chloro-1,1-diethoxypropane35573-93-474 % similar 1,1-Diethoxyhexane3658-93-358 % similar 4,4-Diethoxy-1-butanamine6346-09-456 % similar 4-Chloro-1,1-dimethoxybutane29882-07-354 % similar 2-Chloro-1,1-diethoxyethane621-62-552 % similar 4,4-Diethoxy-N,N-dimethyl-1-butanamine1116-77-452 % similar 3,3-Diethoxy-1-propanol16777-87-048 % similar 1-Amino-3,3-diethoxypropane41365-75-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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