chempirical

2-Chloro-1,1,1-triethoxyethane

C8H17ClO3CAS 51076-95-0196.67 g/mol

Open in Covalent MOL file
OClOO
AcetalAlkyl halideEther

Properties

Molecular formula
C8H17ClO3
Molar mass
196.67 g/mol
Exact mass
196.0866 Da
Density
1.0349 g/mL (at 25 °C)
Melting point
60–68 °C
Boiling point
74–75 °C (at 13 Torr)
logP
1.99Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

Identifiers

CAS number
51076-95-0
SMILES
CCOC(CCl)(OCC)OCC
InChIKey
URFKLQSFBXBOQU-UHFFFAOYSA-N
InChI
InChI=1S/C8H17ClO3/c1-4-10-8(7-9,11-5-2)12-6-3/h4-7H2,1-3H3

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Names and synonyms

6 names
  • Ethane, 2-chloro-1,1,1-triethoxy-
  • Orthoacetic acid, chloro-, triethyl ester
  • Ethyl orthochloroacetate
  • 1-Chloro-2,2,2-triethoxyethane
  • NSC 203073
  • Triethyl orthochloroacetate

Work with 2-Chloro-1,1,1-triethoxyethane

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

Triethyl orthopropionate115-80-055 % similar 1,1,1-Triethoxypentane919-29-944 % similar 2,2-Diethoxypropane126-84-141 % similar Ethyl tert-butyl ether637-92-341 % similar Triethyl orthoacetate78-39-741 % similar 1,1-Diethoxycyclohexane1670-47-936 % similar 2-(Chloromethyl)-2-methyloxirane598-09-436 % similar (Chloromethoxy)ethane3188-13-435 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook