2-Chloroethanol

C2H5ClOCAS 107-07-380.51 g/mol

Open in Covalent MOL file
HOCl
AlcoholAlkyl halide

Properties

Molecular formula
C2H5ClO
Molar mass
80.51 g/mol
Exact mass
80.0029 Da
Density
1.197 g/mL (at 20 °C)
Melting point
−67.5 °C
Boiling point
128–130 °C
Critical temperature
311.9 °C (585.0 K)ChemSep
Critical pressure
59.2 barChemSep
Acentric factor
0.658ChemSep
Enthalpy of formation (gas)
−258.00 kJ/molChemSep
pKa
14.31 (25 °C)
Flash point
60 °C (closed cup)
Water solubility
miscible
logP
0.22Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 603-028-00-7), via PubChem.

Precautionary statements

P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number
107-07-3
SMILES
OCCCl
InChIKey
SZIFAVKTNFCBPC-UHFFFAOYSA-N
InChI
InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 4.25 (t, J = 7.0 Hz, 2H), 3.89 (t, J = 7.0 Hz, 2H), 2.00 (br s, 1H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 65.8, 47.9.
[M + H]+
[M + H]+ Calcd for C2H6ClO 81.0102
[M + Na]+
[M + Na]+ Calcd for C2H5ClNaO 102.9921
[M − H]−
[M − H]− Calcd for C2H4ClO 78.9956
Elemental analysis
Anal. Calcd for C2H5ClO: C, 29.84; H, 6.26.

Weigh it out

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

Names and synonyms

17 names · show all
  • Ethanol, 2-chloro-
  • β-Chloroethyl alcohol
  • 2-Chloroethyl alcohol
  • Ethylene chlorhydrin
  • Ethylene chlorohydrin
  • Glycol monochlorohydrin
  • Ethylchlorohydrin
  • β-Chloroethanol
  • Chloroethanol
  • β-Hydroxyethyl chloride
  • 2-Chloro-1-ethanol
  • 2-Hydroxyethyl chloride
  • Ethene chlorohydrin
  • Glycol chlorohydrin
  • 2-Chloro-1-hydroxyethane
  • 1-Chloro-2-hydroxyethane
  • NSC 122289

Work with 2-Chloroethanol

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

3-Chloro-1-propanol627-30-560 % similar 4-Chloro-1-butanol928-51-856 % similar 6-Chloro-1-hexanol2009-83-853 % similar 8-Chloro-1-octanol23144-52-753 % similar 5-Chloro-1-pentanol5259-98-353 % similar 2-(Chloroethoxy)ethanol628-89-747 % similar 2-[(2-Chloroethoxy)ethoxy]ethanol5197-62-645 % similar 1,2-Dichloroethane107-06-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chloromethyl methyl ether107-30-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia