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84-11-7 molecular structure
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9,10-dihydrophenanthrene-9,10-dione

ChemBase ID: 104493
Molecular Formular: C14H8O2
Molecular Mass: 208.21212
Monoisotopic Mass: 208.0524295
SMILES and InChIs

SMILES:
O=C1C(=O)c2c(cccc2)c2ccccc12
Canonical SMILES:
O=C1C(=O)c2ccccc2c2c1cccc2
InChI:
InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKey:
YYVYAPXYZVYDHN-UHFFFAOYSA-N

Cite this record

CBID:104493 http://www.chembase.cn/molecule-104493.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9,10-dihydrophenanthrene-9,10-dione
IUPAC Traditional name
9,10-phenanthrenequinone
Synonyms
9,10-Phenanthrenequinone
9,10-Phenanthrenedione
PHENANTHRENEQUINONE
Phenanthrene-9,10-dione
9,10-菲二酮
9,10-菲醌
CAS Number
84-11-7
EC Number
201-515-5
MDL Number
MFCD00001163
Beilstein Number
608838
Merck Index
147213
PubChem SID
162091073
24856622
24849615
PubChem CID
6763

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9187062  LogD (pH = 7.4) 2.9187062 
Log P 2.9187062  Molar Refractivity 61.151 cm3
Polarizability 24.370733 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
207-212°C expand Show data source
209-211°C expand Show data source
209-212 °C expand Show data source
209-212 °C(lit.) expand Show data source
Boiling Point
> 300°C expand Show data source
>360°C expand Show data source
Flash Point
241 °C expand Show data source
245°C(473°F) expand Show data source
465.8 °F expand Show data source
Density
1.405 expand Show data source
1.405 g/ml @ 4°C expand Show data source
Absorption Wavelength
λmax 420 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
SF7875000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
36/37/38 expand Show data source
36-50 expand Show data source
Safety Statements
26-36 expand Show data source
26-57-60 expand Show data source
TSCA Listed
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
H315-H319-H335 expand Show data source
H400-H319 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280-P273-P264-P305+P351+P338-P337+P313-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Gene Information
human ... PTPN1(5770), PTPRC(5788) expand Show data source
Purity
≥90% (HPLC) expand Show data source
≥98.0% (HPLC) expand Show data source
≥99% expand Show data source
80% expand Show data source
95% expand Show data source
95+% expand Show data source
Grade
for fluorescence expand Show data source
purum expand Show data source
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
<0.1% anthraquinone expand Show data source
Empirical Formula (Hill Notation)
C14H8O2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02156134 external link
(9,10-Phenanthrenedione)
Sigma Aldrich - 275034 external link
Packaging
25, 100 g in glass bottle
Sigma Aldrich - 156507 external link
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 77478 external link
Other Notes
Reagent for dehydrogenations1; Fluorometric determination of arginine2

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Specific, highly sensitive reagent for arginine and arginyl peptides: Biochem. Biophys. Acta, 130, 538 (1966).
  • • Reagent for dehydrogenation, e.g. of thiazolines to thiazoles in high yield: J. Chem. Soc.(C), 1061 (1966). Review: Chem. Rev., 78, 317 (1978).
  • • Like 1,2-Cyclohexanedione, A14401, has been used by Ley's group for protection of trans-1,2-diols as cyclic diacetals. The method is particularly applicable to the carbohydrate field: Synlett, 793 (1996); J. Chem. Soc., Perkin 1, 2023 (1997):
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PATENTS

PATENTS

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INTERNET

INTERNET

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