2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione

Independent reference data for 2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione (CAS 104206-65-7), compiled from public chemistry databases.

Registry identifiers across databases

Computed descriptors

Physicochemical values on record

Documented uses on record

Nitisinone under the brand name ORFADIN is indicated as an adjunct to dietary restriction of tyrosine and phenylalanine in the treatment of hereditary tyrosinemia type 1. Under the name HARLIKU, nitisinone is indicated for the reduction of urine homogentisic acid (HGA) in adult patients with alkaptonuria (AKU).Nitisinone is an inhibitor of the tyrosine catabolism that is used to treat hereditary tyrosinemia, type 1, in which accumulation of intermediates of tyrosine metabolism causes severe and progressive hepatic and renal injury. Nitisinone has been associated with mild, transient serum aminotransferase elevations, but has not been linked to instances of clinically apparent acute liver injury or jaundice.

Synonyms and trade names

Nitisinone; 104206-65-7; Orfadin; 2-(2-nitro-4-(trifluoromethyl)benzoyl)cyclohexane-1,3-dione; 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione; 2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione; nitisinona; nitisinonum; SC-0735; 2-(Alpha,alpha,alpha-trifluoro-2-nitro-p-tuluoyl)-1,3-cyclohexanedione; NITYR; 1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethyl)benzoyl)-; K5BN214699; DTXSID9042673; CHEBI:50378; 1,3-Cyclohexanedione, 2-[2-nitro-4-(trifluoromethyl)benzoyl]-

GHS hazard classification

Reported hazard statements	H302 (100%), H311 (96.6%)

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H311 (96.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]

What the public record says

2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione · CAS 104206-65-7 · C14H10F3NO5. UNII K5BN214699. Solubility: 8.11e-03 g/L; LogP: 1.6.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.