Home > Compound List > Compound details
217-59-4 molecular structure
click picture or here to close

triphenylene

ChemBase ID: 88601
Molecular Formular: C18H12
Molecular Mass: 228.28788
Monoisotopic Mass: 228.09390038
SMILES and InChIs

SMILES:
c1c2c(ccc1)c1ccccc1c1ccccc21
Canonical SMILES:
c1ccc2c(c1)c1ccccc1c1c2cccc1
InChI:
InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
InChIKey:
SLGBZMMZGDRARJ-UHFFFAOYSA-N

Cite this record

CBID:88601 http://www.chembase.cn/molecule-88601.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenylene
IUPAC Traditional name
triphenylene
Synonyms
Triphenylene
Benzo(l)phenanthrene
9,10-Benzophenanthrene
Triphenylene
benzo[l]phenanthrene
1,2,3,4-dibenznaphthalene
isochrysene
9,10-苯并菲
三亚苯
9,10-苯并菲
CAS Number
217-59-4
EC Number
205-922-9
MDL Number
MFCD00001108
Beilstein Number
1342908
Merck Index
149740
PubChem SID
24892205
24869421
24889746
24868017
24900516
162075523
PubChem CID
9170
CHEMBL
1797416
KEGG ID
C19541
Wikipedia Title
Triphenylene

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.941676  LogD (pH = 7.4) 4.941676 
Log P 4.941676  Molar Refractivity 75.4086 cm3
Polarizability 33.48178 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
194-199°C expand Show data source
195-198 °C(lit.) expand Show data source
195-198°C expand Show data source
197.85°C (471K) expand Show data source
Boiling Point
437.85°C (711K) expand Show data source
438 °C(lit.) expand Show data source
438°C expand Show data source
438°C expand Show data source
Fluorescence
λex 249 nm; λem 285 nm in heptane expand Show data source
λex 265 nm; λem 372 nm in cyclohexane expand Show data source
Storage Warning
Irritant/Corrosive expand Show data source
RTECS
YK2925000 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
3077 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
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
41 expand Show data source
41-50/53 expand Show data source
Safety Statements
24/25-26-39-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H318 expand Show data source
H318-H410 expand Show data source
GHS Precautionary statements
P273-P280-P305 + P351 + P338-P501 expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
BCR® certified Reference Material expand Show data source
for fluorescence expand Show data source
purum expand Show data source
Packaging
ampule of 100 mg expand Show data source
Empirical Formula (Hill Notation)
C18H12 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T82600 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
1 g in glass bottle
Protocols & Applications
Separation of Aromatic Compounds Using Ascentis RP-Amide
Separation of Aromatic Compounds Using Ascentis C18
Sigma Aldrich - BCR270 external link
Legal Information
BCR is a registered trademark of European Commission

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle