2-(difluoromethoxy)pyridine-4-carboxylic acid - ≥97% , CAS No.1211581-51-9

CAS: 1211581-51-9 Cat. No.: P627416 Molecular Weight: 189.12 EC Number: 893-143-0 PubChem CID: 68050402
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
AKOS016015191 | A926282 | 2-(Difluoromethoxy)isonicotinicacid | UZXZLODCGSAFNJ-UHFFFAOYSA-N | DTXSID80737923 | SY119892 | 2-(difluoromethoxy)isonicotinic acid | 2-(difluoromethoxy)pyridine-4-carboxylic acid | KS-8366 | SCHEMBL10162114 | 1211581-51-9 | MFC
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
P627416-1g
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$99.90

$149.90
Save $50.00 (33.36%)
5g
P627416-5g
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$498.90

$748.90
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10g
P627416-10g
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$898.90

$1,348.90
Save $450.00 (33.36%)
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Why this grade

≥97% 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
AKOS016015191 | A926282 | 2-(Difluoromethoxy)isonicotinicacid | UZXZLODCGSAFNJ-UHFFFAOYSA-N | DTXSID80737923 | SY119892 | 2-(difluoromethoxy)isonicotinic acid | 2-(difluoromethoxy)pyridine-4-carboxylic acid | KS-8366 | SCHEMBL10162114 | 1211581-51-9 | MFC
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=CN=C(C=C1C(=O)O)OC(F)F
IUPAC Name2-(difluoromethoxy)pyridine-4-carboxylic acid
InChIKeyUZXZLODCGSAFNJ-UHFFFAOYSA-N
INCHI1S/C7H5F2NO3/c8-7(9)13-5-3-4(6(11)12)1-2-10-5/h1-3,7H,(H,11,12)
Isomeric SMILES C1=CN=C(C=C1C(=O)O)OC(F)F
Alternate CAS 1211581-51-9
PubChem CID 68050402
Molecular Weight 189.12

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.

View datasheet →

🔬 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 Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridine carboxylic acid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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





Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight189.120 g/mol
XLogP31.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass189.024 Da
Monoisotopic Mass189.024 Da
Topological Polar Surface Area59.400 Ų
Heavy Atom Count13
Formal Charge0
Complexity189.000
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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