2-(Chloromethyl)-1,3-dioxolane
Properties
- Molecular formula
- C4H7ClO2
- Molar mass
- 122.55 g/mol
- Exact mass
- 122.0135 Da
- Boiling point
- 158 °C
- logP
- 0.60Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
2568-30-1SMILES
ClCC1OCCO1InChIKey
IKZOMJGRWIOEDP-UHFFFAOYSA-NInChI
InChI=1S/C4H7ClO2/c5-3-4-6-1-2-7-4/h4H,1-3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1,3-Dioxolane, 2-(chloromethyl)-
- 2-Chloromethyldioxolane
- Chloroacetaldehyde ethylene glycol
- NSC 319115
Work with 2-(Chloromethyl)-1,3-dioxolane
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-Chloro-1,1-diethoxyethane621-62-555 % similar
Chloroacetaldehyde dimethyl acetal97-97-245 % similar
Epichlorohydrin106-89-840 % similar
Poly(epichlorohydrin)24969-06-040 % similar
2-(Bromomethyl)-1,3-dioxolane4360-63-840 % similar
(-)-Epichlorohydrin51594-55-940 % similar
(+)-Epichlorohydrin67843-74-740 % similar
2-Chloromethyl tetrahydrofuran3003-84-739 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.