2-potassio-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 137734
• Molecular Formular: C8H4KNO2
• Molecular Mass: 185.22116
• Monoisotopic Mass: 184.98791005
• SMILES: c1ccc2c(c1)C(=O)N(C2=O)[K]
• Canonical SMILES: [K]N1C(=O)c2c(C1=O)cccc2
• InChI: InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1
• InChIKey: FYRHIOVKTDQVFC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-potassio-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-potassioisoindole-1,3-dione
• Synonyms: 1,3-Dihydro-1,3-dioxoisoindole potassium salt; Potassium phthalimide; Phthalimide potassium salt; 邻苯二甲酰亚胺 钾盐; 酞酰亚胺钾; 酞酰亚胺 钾盐

Database IDs

• CAS Number: 1074-82-4
• EC Number: 214-046-6
• MDL Number: MFCD00005887
• Beilstein Number: 3598719
• PubChem SID: 162231995; 24849866; 24887502
• PubChem CID: 3356745

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7944
• LogD (pH = 7.4): -0.7944
• Log P: -0.7944
• Molar Refractivity: 38.5148 cm^3
• Polarizability: 16.41513 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (NT); 98%
• Grade: purum
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C8H4KNO2

DETAILS

Sigma Aldrich - 160385

Application
Reagent which transforms allyl- and alkyl halides into protected primary amines.1,2
Packaging
100, 500 g in poly bottle
5 g in glass bottle