2-hydroxy-2-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1H-indene-1,3-dione

• ChemBase ID: 102522
• Molecular Formular: C18H10O6
• Molecular Mass: 322.2684
• Monoisotopic Mass: 322.04773804
• SMILES: OC1(C(=O)c2c(cccc2)C1=O)C1(O)C(=O)c2c(cccc2)C1=O
• Canonical SMILES: O=C1c2ccccc2C(=O)C1(O)C1(O)C(=O)c2c(C1=O)cccc2
• InChI: InChI=1S/C18H10O6/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22/h1-8,23-24H
• InChIKey: LWFPYLZOVOCBPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1H-indene-1,3-dione
• IUPAC Traditional name: 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione; hydrindantin
• Synonyms: 2,2′-Dihydroxy-2,2′-biindan-1,1′,3,3′-tetrone; Hydrindantin; 2,2',3,3,3',3'-Hexahydroxy-2,2'-Biindan-1,1'-Dione; HYDRINDANTIN DIHYDRATE; Hydrindantin; Hydrindantin; 还原茚满三酮; 还原茚三酮

Database IDs

• CAS Number: 5103-42-4; 5950-69-6
• EC Number: 225-823-4; 227-713-1
• MDL Number: MFCD00003781
• PubChem SID: 162088141; 24895477
• PubChem CID: 21183
• Chemspider ID: 19920
• Wikipedia Title: Hydrindantin

CALCULATED PROPERTIES

• Acid pKa: 9.477502
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.95825833
• LogD (pH = 7.4): 0.95468825
• Log P: 0.95830405
• Molar Refractivity: 81.7648 cm^3
• Polarizability: 31.033634 Å^3
• Polar Surface Area: 108.74 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 251-261°C; 252 °C (dec.)(lit.); decomposes at 250 °C
• Density: 4.44 g/cm^3

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DU2989000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C18H10O6

DETAILS

MP Biomedicals - 02101993

Off-white to tan crystals
Used in amino acid determinations as a ninhydrin synergist.

Sigma Aldrich - H17309

Application
Used in the determination of amino acids.
Packaging
25 g in poly bottle
5 g in glass bottle