Dimethyl fluoromalonate
Properties
- Molecular formula
- C5H7FO4
- Molar mass
- 150.11 g/mol
- Exact mass
- 150.0328 Da
- logP
- -0.33Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed12.5% of notifiers
- H311 Toxic in contact with skin12.5% of notifiers
- H314 Causes severe skin burns and eye damage87.5% of notifiers
- H331 Toxic if inhaled12.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
344-14-9SMILES
COC(=O)C(C(=O)OC)FInChIKey
ZVXHZSXYHFBIEW-UHFFFAOYSA-NInChI
InChI=1S/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Dimethyl fluoromalonate
Similar compounds
Methyl difluoroacetate433-53-464 % similar
Methyl 2-fluoro-3-oxopentanoate180287-02-963 % similar
Methyl isobutyrate547-63-752 % similar
Dimethyl methylmalonate609-02-952 % similar
Methyl 2-formyl-3-oxopropanoate50427-65-152 % similar
Methyl 2,3,3,3-tetrafluoropropanoate382-93-452 % similar
Methyl dichloroacetate116-54-150 % similar
Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.