N-(2-Fluorophenyl)-3-oxobutyramide - ≥95% , CAS No.5279-85-6

CAS: 5279-85-6 Cat. No.: N159390 Molecular Weight: 195.19 EC Number: 808-118-1
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
MFCD00661533 | N-(2-Fluorophenyl)-3-oxobutyramide | T72572 | 2'-Fluoroacetoacetanilide | EN300-17489 | A870890 | SNNJOLBZQNBODQ-UHFFFAOYSA-N | F0963 | SCHEMBL3990399 | DTXSID00354095 | AS-61830 | F9995-4489 | n-(2-fluorophenyl)-3-oxobutanamide | N-(2-Fluo
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
N159390-50mg
6

$23.90

$35.90
Save $12.00 (33.43%)
250mg
N159390-250mg
6

$88.90

$133.90
Save $45.00 (33.61%)
1g
N159390-1g
6

$305.90

$458.90
Save $153.00 (33.34%)
5g
N159390-5g
5

$1,520.90

$2,281.90
Save $761.00 (33.35%)
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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
MFCD00661533 | N-(2-Fluorophenyl)-3-oxobutyramide | T72572 | 2'-Fluoroacetoacetanilide | EN300-17489 | A870890 | SNNJOLBZQNBODQ-UHFFFAOYSA-N | F0963 | SCHEMBL3990399 | DTXSID00354095 | AS-61830 | F9995-4489 | n-(2-fluorophenyl)-3-oxobutanamide | N-(2-Fluo
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid488191442
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488191442
Canonical SmilesCC(=O)CC(=O)NC1=CC=CC=C1F
IUPAC NameN-(2-fluorophenyl)-3-oxobutanamide
InChIKeySNNJOLBZQNBODQ-UHFFFAOYSA-N
INCHI1S/C10H10FNO2/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)
Isomeric SMILES CC(=O)CC(=O)NC1=CC=CC=C1F
Molecular Weight 195.19
Reaxy-Rn 2723997
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2723997&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ 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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAnilides
Alternative Parents N-arylamides  Fluorobenzenes  Fatty amides  Aryl fluorides  1,3-dicarbonyl compounds  Secondary carboxylic acid amides  Ketones  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Anilide - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Fatty amide - 1,3-dicarbonyl compound - Fatty acyl - Secondary carboxylic acid amide - Ketone - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
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:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot NumberCertificate TypeDateItem
E23081009Certificate of AnalysisApr 03, 2023 N159390
E2308879Certificate of AnalysisApr 03, 2023 N159390
E2308974Certificate of AnalysisApr 03, 2023 N159390
E2308977Certificate of AnalysisApr 03, 2023 N159390
E2308982Certificate of AnalysisApr 03, 2023 N159390
E2308983Certificate of AnalysisApr 03, 2023 N159390
E2308985Certificate of AnalysisApr 03, 2023 N159390
E2308994Certificate of AnalysisApr 03, 2023 N159390
K2504057Certificate of AnalysisApr 03, 2023 N159390
Chemical and Physical Properties
Melt Point(°C)74 °C
Molecular Weight195.190 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass195.07 Da
Monoisotopic Mass195.07 Da
Topological Polar Surface Area46.200 Ų
Heavy Atom Count14
Formal Charge0
Complexity230.000
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
Solution Calculators
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