2-(Chloromethyl)-2-methyloxirane

C4H7ClOCAS 598-09-4106.55 g/mol

Open in Covalent MOL file
ClO
Alkyl halideEpoxideEther

Properties

Molecular formula
C4H7ClO
Molar mass
106.55 g/mol
Exact mass
106.0185 Da
Density
1.1011 g/mL (at 20 °C)
Boiling point
122 °C
logP
1.01Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
598-09-4
SMILES
CC1(CCl)CO1
InChIKey
VVHFXJOCUKBZFS-UHFFFAOYSA-N
InChI
InChI=1S/C4H7ClO/c1-4(2-5)3-6-4/h2-3H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Oxirane, 2-(chloromethyl)-2-methyl-
  • Propane, 1-chloro-2,3-epoxy-2-methyl-
  • 1,2-Epoxy-3-chloroisobutane
  • β-Methylepichlorohydrin
  • 3-Chloro-1,2-epoxy-2-methylpropane
  • 1,2-Epoxy-2-methyl-3-chloropropane
  • Methylepichlorohydrin
  • Methepichlorohydrin
  • 1-Chloro-2,3-epoxy-2-methylpropane
  • 2-Methyl-1-chloro-2,3-epoxypropane
  • 2-Methylepichlorohydrin
  • 2-Methyl-2-(chloromethyl)oxirane
  • NSC 24245
  • 2-(Chloromethyl)-2-methoxirane
  • 2-(Chloromethyl)-1,2-epoxypropane

Work with 2-(Chloromethyl)-2-methyloxirane

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

2,2-Dimethyl-1,3-dichloropropane29559-55-538 % similar 1-Chloro-2,2-dimethylpropane753-89-938 % similar 1,3-Dichloro-2,2-bis(chloromethyl)propane3228-99-737 % similar 2-Chloro-1,1,1-triethoxyethane51076-95-036 % similar 1,2-Dichloro-2-methylpropane594-37-635 % similar 3,3-Bis(chloromethyl)oxetane78-71-735 % similar 1-Chloro-2-methylpropan-2-ol558-42-933 % similar 1,1,1-Trimethoxy-2-chloroethane74974-54-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloroethyl vinyl ether110-75-8 Butyryl chloride141-75-3 3-Chloro-2-butanone4091-39-8 4-Chloro-2-butanone6322-49-2 Isobutyryl chloride79-30-1

Elsewhere

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