Nitisinone

Name: Nitisinone
Brand: Vaqora Chemicals
SKU: VQ-032186

About Nitisinone

Nitisinone (CAS 104206-65-7) is a high-purity reference standard of Nitisinone offered by Vaqora Chemicals. The compound has the formula C14H10F3NO5, corresponding to a molecular weight of 329.23 g/mol. Systematically, it is named 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione. Common synonyms include Orfadin and NTBC cpd.

The product is provided as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. It carries the GHS signal word “Danger” with 2 hazard statements. Review the Safety Data Sheet before use.

Laboratories use this Nitisinone standard for identity and assay testing, system suitability checks and method validation supporting ANDA and DMF filings. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

We offer Nitisinone in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Identification & assay
Method development & validation
QC reference material

Industries

Related to Nitisinone

View every impurity, metabolite and intermediate we list for Nitisinone.

Nitisinone impurities

Specifications & identifiers

Chemical identifiers
Product name	Nitisinone
Catalogue No.	VQ-032186
CAS Number	104206-65-7
IUPAC name	2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
Molecular formula	C₁₄H₁₀F₃NO₅
Molecular weight	329.23 g/mol
Exact mass	329.0511
Grade	Reference Standard
HSN code	38229090
InChIKey	OUBCNLGXQFSTLU-UHFFFAOYSA-N
SMILES	C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
PubChem CID	115355

Physical properties
Physical form	Solid
LogP (XLogP3)	2.3
H-bond donors / acceptors	0 / 8
TPSA	97 Å²
Synonyms	Orfadin, 2-(2-nitro-4-(trifluoromethyl)benzoyl)cyclohexane-1,3-dione, 2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, 2-(Alpha,alpha,alpha-trifluoro-2-nitro-p-tuluoyl)-1,3-cyclohexanedione, 1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethyl)benzoyl)-, 1,3-Cyclohexanedione, 2-[2-nitro-4-(trifluoromethyl)benzoyl]-, 2-{[2-nitro-4-(trifluoromethyl)phenyl]carbonyl}cyclohexane-1,3-dione, NTBC cpd, 2-((2-nitro-4-(trifluoromethyl)phenyl)carbonyl)cyclohexane-1,3-dione, Nitisone, 2-(2-Nitro-4-trifluoromethylbenzoyl)cyclohexane-1,3-dione, 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione

Safety & hazard information (GHS)

Toxic

Harmful / irritant

Signal word: Danger

Hazard statements

H302Harmful if swallowed
H311Toxic in contact with skin

Precautionary statements: P262, P264, P270, P280, P301 + P317, P302 + P352, P316, P321, P330, P361 + P364, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Nitisinone?

The CAS Registry Number of Nitisinone is 104206-65-7. It is also known as Orfadin, 2-(2-nitro-4-(trifluoromethyl)benzoyl)cyclohexane-1,3-dione, 2-(2-nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione.

What is the molecular formula and molecular weight of Nitisinone?

Nitisinone has the molecular formula C14H10F3NO5 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione.

What is Nitisinone used for?

Nitisinone is supplied as a characterised reference material related to Nitisinone. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Nitisinone can I order?

We supply Nitisinone in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Nitisinone?

Yes. Every lot of Nitisinone is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Nitisinone be shipped internationally?

Yes. Nitisinone is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.