2-Acetyl-1H-indene-1,3(2H)-dione

HCID 70810

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Basic information

CAS: 1133-72-8
Standard SMILES: CC(=O)C1C(=O)c2ccccc2C1=O
InChIKey: SGLKFWMIZOJHCL-UHFFFAOYSA-N
Molecular formula: C11H8O3
Average molar mass: 188.18 g/mol
Monoisotopic mass: 188.04734412

Names & identifiers

Preferred name: 2-Acetyl-1H-indene-1,3(2H)-dione
IUPAC: 2-acetylindene-1,3-dione
English name: 2-Acetyl-1,3-indanedione
Molecular formula: C11H8O3
Molecular weight: 188.18

Names & synonyms

2-Acetyl-1H-indene-1,3(2H)-dione1133-72-81,3-Indandione, 2-acetyl-DTXSID20150354RefChem:1062087DTXCID60728452-acetylindene-1,3-dione2-Acetyl-1,3-indandione1H-Indene-1,3(2H)-dione, 2-acetyl-MFCD004662782-Acetyl-1,3-indanedioneBRN 0639901

Show more names

RARECHEM AR PA 00472-acetyl-3-indandione2-Acetyl-1,3-dioxoindan2-ethanoylindene-1,3-dione2-acetylindane-1,3-quinone

AI3-225372-acetyl-2,3-dihydro-1H-indene-1,3-dione2-acetylindane-1,3-dione3-07-00-04596 (Beilstein Handbook Reference)1,3-Indanedione, 2-acetyl-SCHEMBL2112664Indane-1,3-dione, 2-acetyl-2-Acetyl-1,3-indanedione, 97%

Database identifiers

CAS: 1133-72-8
PubChem CID: 70810
DTXSID: DTXSID20150354
Nikkaji: J40.990A

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 282

Physicochemical properties

Melting point: 109 · 109-112 °C (lit.)
storage temp.: 2 · 2-8°C
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
WGK Germany: 3 · 3
RTECS: 5075000 · NK5075000

Safety & regulation

Safety data

wgk: 3
rtecs: NK5075000

Chemistry & industry

Applications · 1 item

General Description2-Acetyl-1,3-indanedione (AID) is a cyclic β-diketone. It readily forms coordination complexes with lanthanide ions, which display strong luminescence upon their irradiation with ultraviolet light. AID can be prepared from 4-nitrophthalic anhydride.