Phenprocoumon
Properties
- Molecular formula
- C18H16O3
- Molar mass
- 280.32 g/mol
- Exact mass
- 280.1099 Da
- Melting point
- 179–180 °C
- logP
- 4.04Crippen estimate
- Polar surface area
- 50.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled25% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation25% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H331 Toxic if inhaled100% of notifiers
- H360 May damage fertility or the unborn child25% of notifiers
- H361d Suspected of damaging the unborn child25% of notifiers
- H362 May cause harm to breast-fed children25% of notifiers
- H370 Causes damage to organs25% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P263, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P308+P316, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
435-97-2SMILES
CCC(c1ccccc1)c1c(O)c2ccccc2oc1=OInChIKey
DQDAYGNAKTZFIW-UHFFFAOYSA-NInChI
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
18 names · show all
- 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1-phenylpropyl)-
- Coumarin, 3-(α-ethylbenzyl)-4-hydroxy-
- 4-Hydroxy-3-(1-phenylpropyl)-2H-1-benzopyran-2-one
- 3-(α-Ethylbenzyl)-4-hydroxycoumarin
- Falithrom
- Liquamar
- Marcoumar
- Marcumar
- Phenprocoumarol
- 3-(1-Phenylpropyl)-4-hydroxycoumarin
- Phenprocoumarole
- 3-(α-Phenylpropyl)-4-hydroxycoumarin
- 4-Hydroxy-2-oxo-3-(1-phenylpropyl)-2H-chromene
- Fencumar
- Ro 1-4849
- (±)-Phenprocoumon
- DL-3-(α-Ethylbenzyl)-4-hydroxycoumarin
- BS 7565
Work with Phenprocoumon
Similar compounds
(-)-Warfarin5543-57-769 % similar
(±)-Warfarin81-81-269 % similar
Bromadiolone28772-56-758 % similar
(+-)-Coumachlor81-82-357 % similar
Coumatetralyl5836-29-356 % similar
Difenacoum56073-07-553 % similar
(±)-Acenocoumarol152-72-752 % similar
Dicoumarol66-76-251 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.