6-nitrochrysene

Description

6-nitrochrysene · CAS 7496-02-8 · C18H11NO2. UNII 82ZK83O33Y. Melting Point: 408 °F (NTP, 1992); Vapor Pressure: 0.00000001 [mmHg].

Identification

CAS Registry Number	7496-02-8
PubChem CID	24121
Molecular formula	C18H11NO2
IUPAC name	6-nitrochrysene
UNII (FDA)	82ZK83O33Y

Computed Descriptors

Molecular Weight	273.3
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	273.078978594
Monoisotopic Mass	273.078978594
Topological Polar Surface Area	45.8
Heavy Atom Count	21
Formal Charge	0

Physical & Chemical Properties

Melting Point	408 °F (NTP, 1992)
Vapor Pressure	0.00000001 [mmHg]

Physical description & handling notes

• Chrome-red thick prismatic crystals or orange-yellow needles (recrystallized from pyridine or xylene). (NTP, 1992)
• Yellow, orange-yellow, or chrome red solid; [HSDB]
• Yellow needles from benzene
• Orange-yellow needles
• Chrome-red, thick prismatic crystals
• Sublimes without decomposition (NTP, 1992)

GHS Hazard Classification

Reported hazard statements	H302, H312, H332 (76.5%), H340 (76.5%), H350 (100%), H341, H351

Documented Uses

• Used as the internal standard in the analysis of nitroarenes; [HSDB] Produced directly or indirectly from incomplete combustion; NitroPAHs are formed from PAHs through nitration during combustion (i.e. diesel exhaust) or in the atmosphere; [INCHEM EHC]
• Internal standard in the chemical analysis of nitroarenes. It is available for research purposes at greater than or equal to 98% purity and is also available at a certified purity of 98.9% as a reference material.
• ... Heating chrysene with aqueous nitric acid in acetic acid ... also ... by briefly heating chrysene with nitric acid and concentrated sulfuric acid in acetic acid at 40 °C
• In rats injected with [3,4,9,10-3H]6-nitrochrysene i.p., after 24 hr, only 1.3% of the dose was excreted in the urine and 23% in the feces.
• For more Metabolism/Metabolites (Complete) data for 6-Nitrochrysene (8 total), please visit the HSDB record page.
• 6-nitrochrysene has known human metabolites that include N-hydroxy-6-AC and 1,2-DHD-6-NC.

Synonyms

6-NITROCHRYSENE; 7496-02-8; Chrysene, 6-nitro-; DTXSID9075454; 82ZK83O33Y; NSC-407609; RefChem:105092; DTXCID2047727; 626-732-6; CHEMBL82858; 6-NITROCHRYSENE (purity); 6-Nitrochrysene [Nitroarenes]; CCRIS 2975; 6-Nitro-chrysene; 4-Nitrochrysene #; NSC 407609

Frequently Asked Questions

What are the CAS number and molecular formula of 6-nitrochrysene?

CAS 7496-02-8; molecular formula C18H11NO2; molecular weight — g/mol.

What other names is 6-nitrochrysene known by?

6-NITROCHRYSENE, 7496-02-8, Chrysene, 6-nitro-, DTXSID9075454, 82ZK83O33Y, NSC-407609.

Is 6-nitrochrysene classified as hazardous?

Hazard statements reported: H302, H312, H332, H340, H350.

What are the key physical properties of 6-nitrochrysene?

Melting Point: 408 °F (NTP, 1992); Vapor Pressure: 0.00000001 [mmHg].

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.