苯并菲

Description

Triphenylene · CAS 217-59-4 · C18H12. UNII 18WX3373I0. LogP: 5.84; Collision Cross Section: 143.6 Ų [M*]+; Collision Cross Section: 147.5 Ų [M+H]+.

Identification

CAS Registry Number	217-59-4
PubChem CID	9170
Molecular formula	C18H12
IUPAC name	triphenylene
UNII (FDA)	18WX3373I0

Computed Descriptors

Molecular Weight	228.3
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	228.093900383
Monoisotopic Mass	228.093900383
Topological Polar Surface Area	0
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

LogP	5.84
Collision Cross Section	143.6 Ų [M*]+
Collision Cross Section	147.5 Ų [M+H]+

Physical description & handling notes

• Light yellow powder, insoluble in water; [MSDSonline]

Documented Uses

• PAHs are released into the environment via the combustion of fossil fuels, coke oven emissions and vehicle exhausts, as well as naturally from forest fires and vocanic eruptions. PAHs from these sources may contaminate nearly water systems. They are also found in coal tar and charbroiled food. (L10)
• PAH metabolism occurs in all tissues, usually by cytochrome P-450 and its associated enzymes. PAHs are metabolized into reactive intermediates, which include epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations. The phenols, quinones, and dihydrodiols can all be conjugated to glucuronides and sulfate esters; the quinones also form glutathione conjugates. (L10)

Synonyms

TRIPHENYLENE; 217-59-4; 9,10-Benzophenanthrene; Isochrysene; 9,10-Benzphenanthrene; Benzo(l)phenanthrene; Benzo[l]phenanthrene; 1,2,3,4-Dibenznaphthalene; DTXSID9059757; NSC-57455; 18WX3373I0; CHEBI:33080; RefChem:191904; DTXCID7036537; 205-922-9; MFCD00001108

Frequently Asked Questions

What are the CAS number and molecular formula of Triphenylene?

CAS 217-59-4; molecular formula C18H12; molecular weight — g/mol.

What other names is Triphenylene known by?

TRIPHENYLENE, 217-59-4, 9,10-Benzophenanthrene, Isochrysene, 9,10-Benzphenanthrene, Benzo(l)phenanthrene.

What are the key physical properties of Triphenylene?

LogP: 5.84; Collision Cross Section: 143.6 Ų [M*]+; Collision Cross Section: 147.5 Ų [M+H]+.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.