9,10-dihydroanthracen-9-one

• ChemBase ID: 80918
• Molecular Formular: C14H10O
• Molecular Mass: 194.2286
• Monoisotopic Mass: 194.07316494
• SMILES: O=C1c2c(cccc2)Cc2c1cccc2
• Canonical SMILES: O=C1c2ccccc2Cc2c1cccc2
• InChI: InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
• InChIKey: RJGDLRCDCYRQOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dihydroanthracen-9-one
• IUPAC Traditional name: anthrone
• Synonyms: 9(10H)-Anthracenone; Anthrone, ACS; Anthrone; 10H-Anthracen-9-one; 9-10-dihydro-9-oxoanthracene; ANTHRONE; Anthrone; Carbothrone; anthranone; 9-oxoanthracene; 9,10-dihydro-9-oxoanthracene; 蒽酮, ACS; 9(10H)-蒽酮; 蒽酮

Database IDs

• CAS Number: 90-44-8
• EC Number: 201-994-0
• MDL Number: MFCD00001187
• Beilstein Number: 1910173
• Merck Index: 14691
• PubChem SID: 24890570; 24859195; 162068037; 24846767
• PubChem CID: 7018
• CHEBI ID: 33835
• CHEMBL: 124440
• Chemspider ID: 6751
• Wikipedia Title: Anthrone

CALCULATED PROPERTIES

• Acid pKa: 16.00393
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.551147
• LogD (pH = 7.4): 3.551147
• Log P: 3.551147
• Molar Refractivity: 60.3127 cm^3
• Polarizability: 23.050777 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water; Soluble in alcohol, benzene, and hot NaOH solutions. Insoluble in water
• Apperance: Crystalline; White to light yellow needles
• Melting Point: 153-160°C; 154-157 °C(lit.); 154-157°C; 154-160 °C; 155 - 158 °C; 155-158°C; 155-158°C
• Boiling Point: 721 °C
• Density: Solid

Safety Information

• Storage Condition: 2-8°C, Store Under Nitrogen
• Storage Warning: Irritant; Light Sensitive
• RTECS: CB8925500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥93%; ≥93% (HPLC); 97%; 98%
• Grade: ACS reagent
• Quality: for the determination of carbohydrates
• Empirical Formula (Hill Notation): C14H10O

DETAILS

MP Biomedicals - 02100691

Crystalline
For determination of carbohydrates
Protect from air oxidation.

Sigma Aldrich - 10740

Other Notes
For the determination of carbohydrates1

Sigma Aldrich - 319899

Packaging
25, 100 g in poly bottle

Sigma Aldrich - A1631

Application
Used for determination of carbohydrates.