(S)-1'-(tert-Butyl)-3-chloro-5,7-dihydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
- CAS
- 1455358-14-1
- Formula
- C18H18ClN3O
- MW
- 327.8 g/mol
ZX-033061
API Impurities
1-(2,3,6-Trifluorophenyl)propan-2-one
Reference StandardAvailable on request
Buy 1-(2,3,6-Trifluorophenyl)propan-2-one (CAS 1305324-34-8) from Zemixal: C9H7F3O, COA and SDS with every lot, worldwide shipping.
CAS number1305324-34-8
FormulaC9H7F3O
Molar mass188.15 g/mol
Physical formSolid
HS code38229090
InChIKeyFYLJYJAACVPMRM-UHFFFAOYSA-N
IUPAC name1-(2,3,6-trifluorophenyl)propan-2-one
About 1-(2,3,6-Trifluorophenyl)propan-2-one
1-(2,3,6-Trifluorophenyl)propan-2-one belongs to the Atogepant reference-standard family in the Zemixal catalogue. For your records (Reference Standard), the material is defined by CAS 1305324-34-8, formula C9H7F3O and molar mass 188.15 g/mol. It is handled as a solid.
Use cases we see most often
- Analytical method development
- Method validation (AMV)
- QC release testing
- ANDA / DMF filings
Storage and safety notes
Classified under GHS with signal word Warning and hazard statements H302, H315, H319 and H335. Read the SDS before first use.
Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. You receive a certificate of analysis with characterisation data with each order. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.
Reference standards for Atogepant
See every impurity, metabolite and related compound we list for this API.
Atogepant standardsTypical uses
- Analytical method development
- Method validation (AMV)
- QC release testing
- ANDA / DMF filings
Applications
Specifications and identifiers
| Product name | 1-(2,3,6-Trifluorophenyl)propan-2-one |
|---|---|
| Catalogue number | ZX-036876 |
| CAS number | 1305324-34-8 |
| IUPAC name | 1-(2,3,6-trifluorophenyl)propan-2-one |
| Molecular formula | C9H7F3O |
| Molar mass | 188.15 g/mol |
| Exact mass | 188.0449 |
| Grade | Reference Standard |
| Physical form | Solid |
| XLogP3 | 1.8 |
| H-bond donors / acceptors | 0 / 4 |
| Topological polar surface area | 17.1 Ų |
| HS code | 38229090 |
| InChIKey | FYLJYJAACVPMRM-UHFFFAOYSA-N |
| SMILES | CC(=O)CC1=C(C=CC(=C1F)F)F |
| PubChem CID | 55274609 |
| Synonyms | 2-Propanone, 1-(2,3,6-trifluorophenyl)-, 1-(2,3,6-Trifluorophenyl)-2-propanone |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Warning
- H302Harmful if swallowed
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 10 mg | Quoted on request | |
| 25 mg | Quoted on request | |
| 50 mg | Quoted on request | |
| 100 mg | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about 1-(2,3,6-Trifluorophenyl)propan-2-one
Which CAS number identifies 1-(2,3,6-Trifluorophenyl)propan-2-one?
1-(2,3,6-Trifluorophenyl)propan-2-one is registered under CAS 1305324-34-8. You may also see it listed as 2-Propanone, 1-(2,3,6-trifluorophenyl)-, 1-(2,3,6-Trifluorophenyl)-2-propanone. Our catalogue number for this item is ZX-036876.
What are the formula and molar mass of 1-(2,3,6-Trifluorophenyl)propan-2-one?
For 1-(2,3,6-Trifluorophenyl)propan-2-one, its formula is C9H7F3O and its molar mass is 188.15 g/mol. The systematic (IUPAC) name is 1-(2,3,6-trifluorophenyl)propan-2-one. InChIKey FYLJYJAACVPMRM-UHFFFAOYSA-N lets you match it in any structure database.
How is 1-(2,3,6-Trifluorophenyl)propan-2-one used in pharmaceutical QC?
1-(2,3,6-Trifluorophenyl)propan-2-one is a characterised reference material linked to Atogepant. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for 1-(2,3,6-Trifluorophenyl)propan-2-one?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with 1-(2,3,6-Trifluorophenyl)propan-2-one?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 1-(2,3,6-Trifluorophenyl)propan-2-one to my country?
Yes. Because 1-(2,3,6-Trifluorophenyl)propan-2-one is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.
More Atogepant standards
More in API Impurities
Isopropyl 2-((tert-butoxycarbonyl)amino)-5-oxo-4-(2,3,6-trifluorophenyl)hexanoate
- CAS
- 1488326-89-1
- Formula
- C20H26F3NO5
- MW
- 417.4 g/mol
ZX-028098
tert-Butyl ((3R,5S,6R)-6-methyl-2-oxo-5-(2,3,6-trifluorophenyl)piperidin-3-yl)carbamate
- CAS
- 1488327-11-2
- Formula
- C17H21F3N2O3
- MW
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ZX-028097
(3R,5R,6S)-3-Amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one
- CAS
- 3003751-92-3
- Formula
- C14H14F6N2O
- MW
- 340.26 g/mol
ZX-028096
(3S,5S,6R)-3-Amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one
- CAS
- 1375794-72-1
- Formula
- C14H14F6N2O
- MW
- 340.26 g/mol
ZX-023393
Ethyl [10-(3-chloropropanoyl)-10H-phenothiazin-2-yl]carbamate
- CAS
- 34749-22-9
- Formula
- C18H17ClN2O3S
- MW
- 376.9 g/mol
ZX-036877
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