Ethyl 5-fluoronicotinate - ≥95% , CAS No.22620-29-7

CAS: 22620-29-7 Cat. No.: E330598 Molecular Weight: 169.16
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
BB 0260324 | J-513094 | BRN 0473370 | FT-0660655 | Nicotinic acid, 5-fluoro-, ethyl ester | SCHEMBL4193184 | GAOUAPNRNSFZGW-UHFFFAOYSA-N | ethyl 5-fluoropyridine-3-carboxylate | 3-Pyridinecarboxylicacid, 5-fluoro-, ethyl ester | 3-Pyridinecarboxylic acid,
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
E330598-50mg
1
$55.90
250mg
E330598-250mg
4
$185.90
1g
E330598-1g
2
$529.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
BB 0260324 | J-513094 | BRN 0473370 | FT-0660655 | Nicotinic acid, 5-fluoro-, ethyl ester | SCHEMBL4193184 | GAOUAPNRNSFZGW-UHFFFAOYSA-N | ethyl 5-fluoropyridine-3-carboxylate | 3-Pyridinecarboxylicacid, 5-fluoro-, ethyl ester | 3-Pyridinecarboxylic acid,
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid488188626
Canonical SmilesCCOC(=O)C1=CC(=CN=C1)F
IUPAC Nameethyl 5-fluoropyridine-3-carboxylate
InChIKeyGAOUAPNRNSFZGW-UHFFFAOYSA-N
INCHI1S/C8H8FNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3
Isomeric SMILES CCOC(=O)C1=CC(=CN=C1)F
Molecular Weight 169.16
Reaxy-Rn 473370
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473370&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxylic acids
Alternative Parents Aryl fluorides  Heteroaromatic compounds  Carboxylic acid esters  Monocarboxylic acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridine carboxylic acid - Aryl fluoride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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:

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

4 results found

Lot NumberCertificate TypeDateItem
I2208917Certificate of AnalysisJun 16, 2025 E330598
I2208911Certificate of AnalysisJun 16, 2025 E330598
I2208910Certificate of AnalysisJun 16, 2025 E330598
C2511244Certificate of AnalysisJul 08, 2022 E330598
Chemical and Physical Properties
Molecular Weight169.150 g/mol
XLogP31.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass169.054 Da
Monoisotopic Mass169.054 Da
Topological Polar Surface Area39.200 Ų
Heavy Atom Count12
Formal Charge0
Complexity163.000
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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