[(1-3 Dichlopropan-2-yl)oxy]methyl acetate

C₆H₁₀Cl₂O₃CAS 89281-73-2201.04 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ester Ether

Properties

Molecular formula: C₆H₁₀Cl₂O₃
Molar mass: 201.04 g/mol
Exact mass: 200.0007 Da
logP: 1.37Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Warning

H301 Toxic if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H351 Suspected of causing cancer100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P302+P352, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

89281-73-2

SMILES

CC(=O)OCOC(CCl)CCl

InChIKey

HCPWSZPHLYSAAF-UHFFFAOYSA-N

InChI

InChI=1S/C6H10Cl2O3/c1-5(9)10-4-11-6(2-7)3-8/h6H,2-4H2,1H3

Weigh it out

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Names and synonyms

3 names

Methanol, 1-[2-chloro-1-(chloromethyl)ethoxy]-, 1-acetate
Methanol, [2-chloro-1-(chloromethyl)ethoxy]-, acetate
((1,3-Dichloropropan-2-yl)oxy)methyl acetate

Work with [(1-3 Dichlopropan-2-yl)oxy]methyl acetate

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

1,3-Diacetoxy-2-(acetoxymethoxy)propane86357-13-366 % similar (2S)-1-Acetamido-3-chloropropan-2-yl acetate183905-31-945 % similar Triacetin102-76-144 % similar 2-((Acetyloxy)methoxy)ethyl acetate59278-00-144 % similar Glycol diacetate111-55-743 % similar 3-Chloropropyl acetate628-09-142 % similar Tetrahydrofurfuryl acetate637-64-942 % similar 1-(Acetyloxy)-3-chloro-2-propanone40235-68-541 % similar

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

Elsewhere

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