3,3-Bis(chloromethyl)oxetane

C5H8Cl2OCAS 78-71-7155.02 g/mol

Open in Covalent MOL file
ClClO
Alkyl halideEther

Properties

Molecular formula
C5H8Cl2O
Molar mass
155.02 g/mol
Exact mass
153.9952 Da
Density
1.4 g/mL
Melting point
18.7 °C
Boiling point
80 °C (at 10 Torr)
logP
1.48Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
78-71-7
SMILES
ClCC1(CCl)COC1
InChIKey
CXURGFRDGROIKG-UHFFFAOYSA-N
InChI
InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2

Weigh it out

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Names and synonyms

4 names
  • Oxetane, 3,3-bis(chloromethyl)-
  • 3,3-Bis(chloromethyl)oxacyclobutane
  • 3,3-Bis(chloromethyl)-1-oxacyclobutane
  • NSC 650608

Work with 3,3-Bis(chloromethyl)oxetane

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

1,3-Dichloro-2,2-bis(chloromethyl)propane3228-99-764 % similar Dipentaerythritol126-58-940 % similar 2-Oxa-6-azaspiro[3.3]heptane174-78-740 % similar Bis(3-ethyl-3-oxetanylmethyl) ether18934-00-440 % similar 3,3-Bis(bromomethyl)oxetane2402-83-740 % similar 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-940 % similar 2-Oxa-7-azaspiro[3.5]nonane241820-91-736 % similar 2-(Chloromethyl)-2-methyloxirane598-09-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chlorovaleryl chloride1575-61-7 1,5-Dichloro-3-pentanone3592-25-4 3-Chloro-2,2-dimethylpropanoyl chloride4300-97-4

Elsewhere

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