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2523-42-4 molecular structure
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2-iodo-9H-fluorene

ChemBase ID: 74122
Molecular Formular: C13H9I
Molecular Mass: 292.11503
Monoisotopic Mass: 291.97489829
SMILES and InChIs

SMILES:
Ic1cc2c(cc1)c1c(cccc1)C2
Canonical SMILES:
Ic1ccc2c(c1)Cc1c2cccc1
InChI:
InChI=1S/C13H9I/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey:
VNYQUOAQPXGXQO-UHFFFAOYSA-N

Cite this record

CBID:74122 http://www.chembase.cn/molecule-74122.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-iodo-9H-fluorene
IUPAC Traditional name
2-iodo-9H-fluorene
Synonyms
2-Iodo-9H-fluorene
2-Iodofluorene
2-Iodo-9H-fluorene
2-碘-9H-芴
2-碘芴
CAS Number
2523-42-4
MDL Number
MFCD00019049
PubChem SID
162039041
24884001
PubChem CID
224094

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.566185  H Acceptors
H Donor LogD (pH = 5.5) 4.667964 
LogD (pH = 7.4) 4.667964  Log P 4.667964 
Molar Refractivity 68.2359 cm3 Polarizability 27.215961 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
126-129 °C expand Show data source
126-129°C expand Show data source
Hydrophobicity(logP)
5.198 expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
51/53 expand Show data source
Safety Statements
61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319-H411 expand Show data source
GHS Precautionary statements
P273-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
90% expand Show data source
97% expand Show data source
98% expand Show data source
null% expand Show data source
Empirical Formula (Hill Notation)
C13H9I expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 653918 external link
Features and Benefits
Precursor for Organic electroluminescent devices.1
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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