triphenylene

• ChemBase ID: 88601
• Molecular Formular: C18H12
• Molecular Mass: 228.28788
• Monoisotopic Mass: 228.09390038
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 217-59-4
• EC Number: 205-922-9
• MDL Number: MFCD00001108
• Beilstein Number: 1342908
• Merck Index: 149740
• PubChem SID: 24889746; 24868017; 162075523; 24892205; 24869421; 24900516
• PubChem CID: 9170
• CHEMBL: 1797416
• KEGG ID: C19541
• Wikipedia Title: Triphenylene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.941676
• LogD (pH = 7.4): 4.941676
• Log P: 4.941676
• Molar Refractivity: 75.4086 cm^3
• Polarizability: 33.48178 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194-199°C; 195-198 °C(lit.); 195-198°C; 197.85°C (471K)
• Boiling Point: 437.85°C (711K); 438 °C(lit.); 438°C; 438°C
• Fluorescence: λex 249 nm; λem 285 nm in heptane; λex 265 nm; λem 372 nm in cyclohexane

Safety Information

• Storage Warning: Irritant/Corrosive
• RTECS: YK2925000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 41; 41-50/53
• Safety Statements: 24/25-26-39-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H318; H318-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P501; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (HPLC); 98%
• Grade: analytical standard; analytical standard, for environmental analysis; BCR® certified Reference Material; for fluorescence; purum
• Packaging: ampule of 100 mg
• Empirical Formula (Hill Notation): C18H12

DETAILS

Sigma Aldrich - T82600

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

Legal Information
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