6-Aminophthalide
Properties
- Molecular formula
- C8H7NO2
- Molar mass
- 149.15 g/mol
- Exact mass
- 149.0477 Da
- Melting point
- 143 °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 swallowed86.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, 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
57319-65-0SMILES
Nc1ccc2c(c1)C(=O)OC2InChIKey
ZIJZDNKZJZUROE-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/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, 6-amino-
- 6-Amino-3H-isobenzofuran-1-one
- 5-Amino-3-oxo-1,3-dihydroisobenzofuran
- Phthalide, 6-amino-
- 6-Amino-1(3H)-isobenzofuranone
- NSC 49585
- 6-Amino-2-benzofuran-1(3H)-one
- 6-Amino-1,3-dihydroisobenzofuran-1-one
Work with 6-Aminophthalide
Similar compounds
5-Aminophthalide65399-05-575 % similar
6-Bromo-3 H-isobenzofuran-1-one19477-73-760 % similar
Phthalide87-41-255 % similar
6-Nitrophthalide610-93-553 % similar
2,6-Diaminoanthraquinone131-14-648 % similar
5-Hydroxyphthalide55104-35-347 % similar
5-Bromophthalide64169-34-247 % similar
Benzyl anthranilate82185-41-945 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.