2-Hydroxyfluoren-9-one

HCID 81386

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6949-73-1
Standard SMILES: O=C1c2ccccc2-c2ccc(O)cc21
InChIKey: GXUBPHMYNSICJC-UHFFFAOYSA-N
Molecular formula: C13H8O2
Average molar mass: 196.2 g/mol
Monoisotopic mass: 196.0524295

Names & identifiers

Preferred name: 2-Hydroxyfluoren-9-one
IUPAC: 2-hydroxyfluoren-9-one
English name: 2-Hydroxy-9-fluorenone
Molecular formula: C13H8O2
Molecular weight: 196.2

Names & synonyms

2-Hydroxyfluoren-9-oneNSC 22835DTXSID00219716EINECS 230-119-5RefChem:473452DTXCID50142207230-119-52-Hydroxy-9H-fluoren-9-one6949-73-1MFCD00001155DR37FXR63QNSC22835

Show more names

2-Hydroxyfluorenone.2-Hydroxy-9-fluorenone2-Hydroxy-9-fluorenone>2-Hydroxy-9-fluorenone,97%2-Hydroxy-9-fluorenone in toluene2-[(3-chloroanilino)methylidene]propanedinitrile

2-hydroxy-fluoren-9-oneNSC-228352-Hydroxy-9-fluorenone, 98%9H-Fluoren-9-one, 2-hydroxy-CS-W010597AS-58713H0329Z1255485150

Database identifiers

CAS: 6949-73-1
PubChem CID: 81386
DTXSID: DTXSID00219716
ChEMBL: CHEMBL1998832
UNII: DR37FXR63Q
EC Number: 230-119-5
Nikkaji: J208.569K

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 274

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 204 · 204-206 °C(lit.)
Boiling point: 293.09 °C · 293.09°C (rough estimate)
Density: 1.1482 · 1.1482 (rough estimate)
refractive index: 1.5954 · 1.5954 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Acetone
pka: 9.09 · 9.09±0.20(Predicted)
form: Powder
color: Yellow to orange
CAS DataBase Reference: 6949 · 6949-73-1(CAS DataBase Reference)
FDA UNII: 37 FXR63Q · DR37FXR63Q
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a-P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29145090 · 29145090

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29145090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a-P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesReactant involved in:One-pot synthesis of aryl substituted auronesStudies to tune HOMO-LUMO levels of 9-fluorenone scaffoldsO-methylation for synthesis of second-generation light driven rotary molecular motorsReactions with aluminum, gallium compounds, and methylquinolinesSynthesis of acridinyl- and fluorenylidenehydrazido calixarenesAcetylation for synthesis of acetates