2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro… 230615-53-9

About 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one

2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one is an impurity of Varenicline carrying the CAS registry number 230615-53-9. With the molecular formula C13H11F3N2O3, it has a molar mass of 300.23 g/mol. Its systematic (IUPAC) name is 2,2,2-trifluoro-1-(4-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)ethanone. Common synonyms include CS-B1680.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

As a characterised impurity of Varenicline, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

We offer 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Varenicline

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

Varenicline impurities

Specifications & identifiers

Chemical identifiers
Product name	2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one
Catalogue No.	VQ-028641
CAS Number	230615-53-9
IUPAC name	2,2,2-trifluoro-1-(4-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)ethanone
Molecular formula	C₁₃H₁₁F₃N₂O₃
Molecular weight	300.23 g/mol
Exact mass	300.0722
Grade	Reference Standard
HSN code	38229090
InChIKey	QIRWLPNFDZWWIS-UHFFFAOYSA-N
SMILES	C1C2CN(CC1C3=C2C=CC(=C3)[N+](=O)[O-])C(=O)C(F)(F)F
PubChem CID	21864705

Physical properties
Physical form	Solid
LogP (XLogP3)	2.4
H-bond donors / acceptors	0 / 6
TPSA	66.1 Å²
Synonyms	7-nitro-3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine, 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7-nitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone, Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7-nitro-1,5-methano-3H-3-benzazepin-3-yl)-, CS-B1680, 1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-7-nitro-3-(trifluoroacetyl)-, 2,2,2-trifluoro-1-(7-nitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)ethanone, 1-(4-nitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)2.2.2-trifluoro-ethanone, 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methano-3-benzazepin-3-yl)ethan-1-one

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 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one?

The CAS Registry Number of 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one is 230615-53-9. It is also known as 7-nitro-3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine, 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7-nitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone, Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7-nitro-1,5-methano-3H-3-benzazepin-3-yl)-.

What is the molecular formula and molecular weight of 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one?

2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one has the molecular formula C13H11F3N2O3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)ethanone.

What is 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one used for?

2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one is supplied as a characterised reference material related to Varenicline. 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 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one can I order?

We supply 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one 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 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one?

Yes. Every lot of 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one 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 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one be shipped internationally?

Yes. We export 2,2,2-Trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)ethan-1-one worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.