1-(3,4-Difluorophenyl)piperidin-4-one - Reagent grade , CAS No.885275-07-0

CAS: 885275-07-0 Cat. No.: D479651 Molecular Weight: 211.21
AVAILABLE TO ORDER
GRADE & PURITY Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required.
Synonyms
DTXSID90640772 | 1-(3,4-DIFLUOROPHENYL)-4-PIPERIDINONE | 1-(3,4-DIFLUORO-PHENYL)-PIPERIDIN-4-ONE | 1-(3,4-Difluorophenyl)piperidin-4-one | AB28357 | MFCD06739003 | AKOS000176055 | 1-(3,4-Difluorophenyl)piperidin-4-one, AldrichCPR | BS-36888 | SCHEMBL16277
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
D479651-1g
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$130.90

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Why this grade

Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXSID90640772 | 1-(3, 4-DIFLUOROPHENYL)-4-PIPERIDINONE | 1-(3, 4-DIFLUORO-PHENYL)-PIPERIDIN-4-ONE | 1-(3, 4-Difluorophenyl)piperidin-4-one | AB28357 | MFCD06739003 | AKOS000176055 | 1-(3, 4-Difluorophenyl)piperidin-4-one, AldrichCPR | BS-36888 | SCHEMBL16277
Specifications & Purity
Reagent grade
Legal Information
Product of ChemBridge Corp.
Storage
Room temperature
Grade
Reagent Grade
Names and Identifiers
Canonical SmilesC1CN(CCC1=O)C2=CC(=C(C=C2)F)F
IUPAC Name1-(3,4-difluorophenyl)piperidin-4-one
InChIKeyOQVXHVMMKRCNKU-UHFFFAOYSA-N
INCHI1S/C11H11F2NO/c12-10-2-1-8(7-11(10)13)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2
Isomeric SMILES C1CN(CCC1=O)C2=CC(=C(C=C2)F)F
Molecular Weight 211.21
Reaxy-Rn 8487292
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8487292&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPiperidines
SubclassPhenylpiperidines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperidines
Alternative Parents Dialkylarylamines  Aniline and substituted anilines  Piperidinones  Fluorobenzenes  Aryl fluorides  Cyclic ketones  Azacyclic compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylpiperidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Piperidinone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Cyclic ketone - Tertiary amine - Ketone - Azacycle - Organic oxygen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Flash Point(°F)Not applicable
Flash Point(°C)Not applicable
Molecular Weight211.210 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass211.081 Da
Monoisotopic Mass211.081 Da
Topological Polar Surface Area20.300 Ų
Heavy Atom Count15
Formal Charge0
Complexity237.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
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