Dichloroethanol

C₂H₄Cl₂OCAS 598-38-9114.95 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₂H₄Cl₂O
Molar mass: 114.95 g/mol
Exact mass: 113.9639 Da
Density: 1.404 g/mL (at 25 °C)
Boiling point: 146.1 °C
Flash point: 78.3 °C
Water solubility: ≥ 100 g/L (22.8 °C)
logP: 0.78Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

598-38-9

SMILES

C(C(Cl)Cl)O

InChIKey

IDJOCJAIQSKSOP-UHFFFAOYSA-N

InChI

InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2

Weigh it out

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

Names and synonyms

5 names

2,2-Dichloroethanol
Ethanol, 2,2-dichloro-
2,2-Dichloroethan-1-ol
2,2-Dichloro-ethanol
2.2-Dichloroethanol

Work with Dichloroethanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(S)-(+)-2-Chloropropan-1-ol19210-21-042 % similar (R)-(-)-2-Chloropropan-1-ol37493-14-442 % similar Propylene chlorohydrin78-89-742 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-340 % similar (±)-2,3-Dichloro-1-propanol616-23-940 % similar Cyclohexanedimethanol105-08-835 % similar Erythritol149-32-635 % similar L-Threitol2319-57-535 % similar

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

Same formula

Dichloromethyl methyl ether4885-02-3 Bis(chloromethyl) ether542-88-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook