4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione

HCID 346002

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Basic information

CAS: 41709-87-9
Standard SMILES: O=C1NC(=O)c2c(O)cccc21
InChIKey: XXYNZSATHOXXBJ-UHFFFAOYSA-N
Molecular formula: C8H5NO3
Average molar mass: 163.13 g/mol
Monoisotopic mass: 163.02694302

Names & identifiers

Preferred name: 4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 4-hydroxyisoindole-1,3-dione
English name: 4-hydroxyisoindole-1,3-dione
Molecular formula: C8H5NO3
Molecular weight: 163.13

Names & synonyms

4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:523725854-641-341709-87-94-hydroxyisoindole-1,3-dione4-Hydroxyisoindoline-1,3-dioneHydroxyphthalimide4-Hydroxy-1h-isoindole-1,3(2h)-dionehydroxy phthalimide3-HydroxyphthalimidNSC403994SCHEMBL51539

Show more names

1H-Isoindole-1,3(2H)-dione, 4-hydroxy-

dihydroxy-1h-isoindole-1-oneSCHEMBL1499914SCHEMBL4850007SCHEMBL6338271CHEMBL4587663SCHEMBL29779636DTXSID90323432XXYNZSATHOXXBJ-UHFFFAOYSA-N

Database identifiers

CAS: 41709-87-9
PubChem CID: 346002
DTXSID: DTXSID90323432
ChEMBL: CHEMBL4587663
EC Number: 854-641-3

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 238

Experimental & physicochemical properties

SpringerMaterials PropertiesAngular frequency

Physicochemical properties

Melting point: 255 · 255-256 °C
Density: 1.539 · 1.539±0.06 g/cm3(Predicted)
pka: 6.74 · 6.74±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362