3-Chloro-1,1-diethoxypropane

C₇H₁₅ClO₂CAS 35573-93-4166.65 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₇H₁₅ClO₂
Molar mass: 166.65 g/mol
Exact mass: 166.0761 Da
Density: 0.991 g/mL (at 20 °C)
Boiling point: 74 °C (at 20 Torr)
logP: 2.01Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

Warning

H226 Flammable liquid and vapor98% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation92% of notifiers

Aggregated from 50 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

35573-93-4

SMILES

CCOC(CCCl)OCC

InChIKey

NXHONHDWVLPPCS-UHFFFAOYSA-N

InChI

InChI=1S/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3

Weigh it out

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Names and synonyms

10 names

Propane, 3-chloro-1,1-diethoxy-
Propionaldehyde, 3-chloro-, diethyl acetal
3-Chloropropionaldehyde diethyl acetal
β-Chloropropanal diethyl acetal
3-Chloropropanal diethyl acetal
β-Chloropropionaldehyde diethyl acetal
1-Chloro-3,3-diethoxypropane
3,3-Diethoxypropyl chloride
NSC 60136
3-Chloroprionaldehyde diethyl acetal

Work with 3-Chloro-1,1-diethoxypropane

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

4-Chlorobutyraldehyde diethyl acetal6139-83-974 % similar 2-Chloro-1,1-diethoxyethane621-62-557 % similar 3,3-Diethoxy-1-propanol16777-87-052 % similar 1-Amino-3,3-diethoxypropane41365-75-752 % similar 1,1,3-Triethoxypropane7789-92-652 % similar 1,1,3,3-Tetraethoxypropane122-31-650 % similar 1,1-Diethoxyhexane3658-93-350 % similar 4,4-Diethoxy-1-butanamine6346-09-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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