Epichlorohydrin

C3H5ClOCAS 106-89-892.52 g/mol

Open in Covalent MOL file
ClO
Alkyl halideEpoxideEther

Properties

Molecular formula
C3H5ClO
Molar mass
92.52 g/mol
Exact mass
92.0029 Da
Density
1.175 g/mL (at 25 °C)
Melting point
−25.6 °C
Boiling point
117.9 °C
Critical temperature
341.9 °C (615.0 K)ChemSep
Critical pressure
49.7 barChemSep
Acentric factor
0.252ChemSep
Enthalpy of formation (gas)
−107.80 kJ/molChemSep
Flash point
31 °C (closed cup)
Water solubility
60 g/L (20 °C)
logP
0.62Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 603-026-00-6), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
106-89-8
SMILES
ClCC1CO1
InChIKey
BRLQWZUYTZBJKN-UHFFFAOYSA-N
InChI
InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
Characterization data

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

[M + H]+
[M + H]+ Calcd for C3H6ClO 93.0102
[M + Na]+
[M + Na]+ Calcd for C3H5ClNaO 114.9921
[M − H]−
[M − H]− Calcd for C3H4ClO 90.9956
Elemental analysis
Anal. Calcd for C3H5ClO: C, 38.95; H, 5.45.

Weigh it out

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

Names and synonyms

27 names · show all
  • 1-Chloro-2,3-epoxypropane
  • 3-Chloro-1,2-epoxypropane
  • γ-Chloropropylene oxide
  • 3-Chloro-1,2-propylene oxide
  • α-Epichlorohydrin
  • (Chloromethyl)ethylene oxide
  • 1,2-Epoxy-3-chloropropane
  • 2,3-Epoxypropyl chloride
  • (Chloromethyl)oxirane
  • Chloropropylene oxide
  • 3-Chloropropene-1,2-oxide
  • Glycidyl chloride
  • Glycerol epichlorohydrin
  • 3-Chloropropylene oxide
  • J 006
  • DL-α-Epichlorohydrin
  • (RS)-Epichlorhydrin
  • (±)-Epichlorohydrin
  • NSC 6747
  • Epoxychloropropane
  • Epicerol
  • 10: PN: WO2017021334 SEQID: 16 claimed sequence
  • 3-Chloropropylene epoxide
  • Oxirane, 2-(chloromethyl)-
  • Propane, 1-chloro-2,3-epoxy-
  • Oxirane, (chloromethyl)-
  • 2-(Chloromethyl)oxirane

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 106-89-8. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Epichlorohydrin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Epichlorohydrin67843-74-7Defined stereoisomer (-)-Epichlorohydrin51594-55-9Defined stereoisomer Poly(epichlorohydrin)24969-06-0

Similar compounds

Epichlorohydrin-α-hydro-ω-hydroxypoly(oxy-1,2-ethanediyl) polymer39443-66-874 % similar Dimethylamine-epichlorohydrin copolymer25988-97-070 % similar Trimethylolpropane-epichlorohydrin copolymer30499-70-852 % similar Sevelamer hydrochloride152751-57-050 % similar 1,2:5,6-Diepoxyhexane1888-89-747 % similar Hydrogenated bisphenol-A epoxy resin30583-72-347 % similar 2-Chloromethyl tetrahydrofuran3003-84-745 % similar Triglycidylglycerol13236-02-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chloroacetone78-95-5 Propionyl chloride79-03-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia