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486-25-9 molecular structure
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9H-fluoren-9-one

ChemBase ID: 91092
Molecular Formular: C13H8O
Molecular Mass: 180.20202
Monoisotopic Mass: 180.05751488
SMILES and InChIs

SMILES:
O=C1c2c(cccc2)c2c1cccc2
Canonical SMILES:
O=C1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
InChIKey:
YLQWCDOCJODRMT-UHFFFAOYSA-N

Cite this record

CBID:91092 http://www.chembase.cn/molecule-91092.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluoren-9-one
IUPAC Traditional name
fluorenone
Synonyms
Fluoren-9-one 98%
9-FLUORENONE
9-Fluorenone
9H-Fluoren-9-one
9-Oxofluorene
Diphenylene ketone
Fluorenone
9H-fluoren-9-one
9-Fluorenone
9-芴酮
CAS Number
486-25-9
EC Number
207-630-7
MDL Number
MFCD00001141
Beilstein Number
1636531
PubChem SID
24870547
24894771
162077796
PubChem CID
10241
CHEBI ID
17922
CHEMBL
571655
Chemspider ID
9824
KEGG ID
C06712
Wikipedia Title
Fluorenone

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1065784  LogD (pH = 7.4) 3.1065784 
Log P 3.1065784  Molar Refractivity 55.7117 cm3
Polarizability 22.728601 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in water expand Show data source
Apperance
Yellow solid flakes,
chips, or crystalline powder
expand Show data source
Melting Point
80-83 °C expand Show data source
80-83 °C(lit.) expand Show data source
82-84°C expand Show data source
82-85°C expand Show data source
83.5°C expand Show data source
Boiling Point
342 °C(lit.) expand Show data source
342°C expand Show data source
342°C expand Show data source
Flash Point
163 °C expand Show data source
163°C (325.4°F) expand Show data source
163°C(325°F) expand Show data source
325.4 °F expand Show data source
Auto Ignition Point
608°C (1126.4°F) expand Show data source
Density
0.9 expand Show data source
1.13 g/cm3 expand Show data source
Refractive Index
1.6309 expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
LL8925000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Safety Statements
R expand Show data source
TSCA Listed
expand Show data source
Main Hazard
Irritant expand Show data source
NFPA704
NFPA 704 diagram
1
1
0
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (HPLC) expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C13H8O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05208852 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - F1506 external link
Packaging
100, 500 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 46900 external link
Quantity
λmax. 257 nm, mol. absorption: 79430 (ethanol)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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