Coronene

Description

Coronene · CAS 191-07-1 · C24H12. UNII 7YY0X5XT1W. LogP: 7.64; Collision Cross Section: 162.6 Ų [M+H]+; Collision Cross Section: 159.9 Ų [M*]+.

Identification

CAS Registry Number	191-07-1
PubChem CID	9115
Molecular formula	C24H12
IUPAC name	coronene
UNII (FDA)	7YY0X5XT1W

Computed Descriptors

Molecular Weight	300.4
XLogP3	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	300.093900383
Monoisotopic Mass	300.093900383
Topological Polar Surface Area	0
Heavy Atom Count	24
Formal Charge	0

Physical & Chemical Properties

LogP	7.64
Collision Cross Section	162.6 Ų [M+H]+
Collision Cross Section	159.9 Ų [M*]+

Physical description & handling notes

• Dark yellow powder; [Sigma-Aldrich MSDS]

Regulatory Status

GHS notification summary	18.8% (3 / 16)

GHS Hazard Classification

GHS notification summary	18.8% (3 / 16)
Reported hazard statements	H371 (75%)

Documented Uses

• Found in the mineral pendletonite; A byproduct of hydrocarbon combustion; Used in charge-coupled devices as an ultraviolet phosphor; [Merck Index]
• 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

CORONENE; 191-07-1; Hexabenzobenzene; superbenzene; Dibenzo(ghi,pqr)perylene; Dibenzo[ghi,pqr]perylene; 7YY0X5XT1W; NSC-90725; DTXSID5047740; CHEBI:29863; RefChem:579250; DTXCID5027724; 205-881-7; CCRIS 908; EINECS 205-881-7; C24H12

Frequently Asked Questions

What are the CAS number and molecular formula of Coronene?

CAS 191-07-1; molecular formula C24H12; molecular weight — g/mol.

What other names is Coronene known by?

CORONENE, 191-07-1, Hexabenzobenzene, superbenzene, Dibenzo(ghi,pqr)perylene, Dibenzo[ghi,pqr]perylene.

Is Coronene classified as hazardous?

18.8% of GHS notifications report no hazard classification (3 of 16).

What are the key physical properties of Coronene?

LogP: 7.64; Collision Cross Section: 162.6 Ų [M+H]+; Collision Cross Section: 159.9 Ų [M*]+.

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.