1,1,1-Trimethoxy-2-chloroethane

C₅H₁₁ClO₃CAS 74974-54-2154.59 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₅H₁₁ClO₃
Molar mass: 154.59 g/mol
Exact mass: 154.0397 Da
logP: 0.82Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

74974-54-2

SMILES

COC(CCl)(OC)OC

InChIKey

NPEIUNVTLXEOLT-UHFFFAOYSA-N

InChI

InChI=1S/C5H11ClO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3

Weigh it out

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Work with 1,1,1-Trimethoxy-2-chloroethane

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

2-Chloro-1,1,1-triethoxyethane51076-95-045 % similar 1,1,1-Trimethoxypropane24823-81-245 % similar Trimethyl orthobutyrate43083-12-141 % similar Trimethyl orthovalerate13820-09-238 % similar 2,2-Dimethyl-1,3-dichloropropane29559-55-535 % similar 1-Chloro-2,2-dimethylpropane753-89-935 % similar Tetramethoxymethane1850-14-233 % similar 1,3-Dichloro-2,2-bis(chloromethyl)propane3228-99-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Epichlorohydrin-α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) polymer39443-66-8

Elsewhere

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