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2443-58-5 molecular structure
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9H-fluoren-2-ol

ChemBase ID: 145097
Molecular Formular: C13H10O
Molecular Mass: 182.2179
Monoisotopic Mass: 182.07316494
SMILES and InChIs

SMILES:
c1ccc2c(c1)Cc1c2ccc(c1)O
Canonical SMILES:
Oc1ccc2c(c1)Cc1c2cccc1
InChI:
InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2
InChIKey:
ZDOIAPGLORMKTR-UHFFFAOYSA-N

Cite this record

CBID:145097 http://www.chembase.cn/molecule-145097.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluoren-2-ol
IUPAC Traditional name
2-hydroxyfluorene
Synonyms
2-Fluorenol
2-Hydroxyfluorene
9H-Fluoren-2-ol
Fluoren-2-ol
2-Hydroxy-9H-fluorene
2-Hydroxyfluorene
NSC 26316
NSC 31248
2-Hydroxy Fluorene
2-芴醇
2-羟基芴
CAS Number
2443-58-5
EC Number
219-478-9
MDL Number
MFCD00010778
PubChem SID
24858064
162239307
PubChem CID
75547

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 75547 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.921014  H Acceptors
H Donor LogD (pH = 5.5) 3.4354377 
LogD (pH = 7.4) 3.4341552  Log P 3.4354541 
Molar Refractivity 56.8543 cm3 Polarizability 23.018667 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
White Solid expand Show data source
Melting Point
164-167°C expand Show data source
167-169 °C(lit.) expand Show data source
Storage Condition
Refrigerator expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C13H10O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 299847 external link
Packaging
100 mg in glass bottle
Toronto Research Chemicals - H942430 external link
A metabolite of polycyclic aromatic hydrocarbons in humans.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Jacob, J., et al.: Xenobiotica, 12, 45 (1982)
  • • Becher, G., et al.: Cancer Lett., 17, 301 (1982)
  • • Hoffmann, D., et al.: Cancer Treat. Res., 72, 1 (1982)
  • • Einolf, H., et al.: Chem. Res. Toxicol., 10, 609 (1982)
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PATENTS

PATENTS

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INTERNET

INTERNET

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