3-Phenylphthalide
Properties
- Molecular formula
- C14H10O2
- Molar mass
- 210.23 g/mol
- Exact mass
- 210.0681 Da
- Melting point
- 147–148 °C
- logP
- 2.95Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5398-11-8SMILES
O=C1OC(c2ccccc2)c2ccccc21InChIKey
SQFMIHCARVMICF-UHFFFAOYSA-NInChI
InChI=1S/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1(3H)-Isobenzofuranone, 3-phenyl-
- Phthalide, 3-phenyl-
- 3-Phenyl-1(3H)-isobenzofuranone
- (±)-3-Phenylphthalide
- NSC 4572
- 3-Phenylisobenzofuran-1-one
- 3-Phenyl-3H-2-benzofuran-1-one
- 3-Phenyl-1,3-dihydro-2-benzofuran-1-one
Work with 3-Phenylphthalide
Similar compounds
3-Bromophthalide6940-49-456 % similar
1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-248 % similar
Diisopropyl phthalate605-45-847 % similar
Butylphthalide6066-49-546 % similar
3-Oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid61260-15-946 % similar
Dicyclohexyl phthalate84-61-743 % similar
(±)-3-Phenyl-1-indanone16618-72-742 % similar
Phthalic anhydride85-44-942 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds