5-Aminophthalide
Properties
- Molecular formula
- C8H7NO2
- Molar mass
- 149.15 g/mol
- Exact mass
- 149.0477 Da
- Melting point
- 178 °C
- logP
- 0.94Crippen estimate
- Polar surface area
- 52.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
- H412 Harmful to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
65399-05-5SMILES
Nc1ccc2c(c1)COC2=OInChIKey
ISMUWQMUWFPFBZ-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1(3H)-Isobenzofuranone, 5-amino-
- Phthalide, 5-amino-
- 5-Amino-1(3H)-isobenzofuranone
- 5-Aminoisobenzofuran-1(3H)-one
- 5-Amino-2-benzofuran-1(3H)-one
- 1-Oxo-1,3-dihydroisobenzofuran-5-amine
- 5-Amino-1,3-dihydroisobenzofuran-1-one
- 5-Amino-3H-benzofuran-1-one
Work with 5-Aminophthalide
Similar compounds
6-Aminophthalide57319-65-075 % similar
5-Hydroxyphthalide55104-35-360 % similar
5-Bromophthalide64169-34-260 % similar
Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate23405-32-555 % similar
1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid4792-29-455 % similar
1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile82104-74-355 % similar
Phthalide87-41-255 % similar
5-Phenoxy-1(3H)-isobenzofuranone57830-14-554 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.