2,4-Difluoropyrimidine - ≥97% , CAS No.2802-61-1

CAS: 2802-61-1 Cat. No.: D169237 Molecular Weight: 116.07 EC Number: 631-074-8
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
difluropyrimidine | NSC331813 | NSC-331813 | STL554323 | BCP07954 | NSC 331813 | MS-20032 | DTXSID20182296 | AMY136 | MFCD04972830 | SB57370 | BBL100529 | 2-(PHENYLTHIO)PYRIDINE-3-CARBONYLCHLORIDE | AKOS005254452 | FT-0677608 | A819287 | J-016950 | Pyrimi
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
D169237-100mg
3

$11.90

$17.90
Save $6.00 (33.52%)
500mg
D169237-500mg
5

$44.90

$67.90
Save $23.00 (33.87%)
1g
D169237-1g
3

$49.90

$74.90
Save $25.00 (33.38%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,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.

Overview

Application:

2,4-Difluoropyrimidine can be used as a starting material to synthesize:

·3-Pyrimidin-4-yl-oxazolidin-2-one derivatives as mutant isocitrate dehydrogenase (IDH1) inhibitors.

·N,N′-(1,4-phenylenebis(methylene))bis(2-fluoropyrimidin-4-amine) as chemokine receptor type 4 antagonists.

Specifications

Synonyms
difluropyrimidine | NSC331813 | NSC-331813 | STL554323 | BCP07954 | NSC 331813 | MS-20032 | DTXSID20182296 | AMY136 | MFCD04972830 | SB57370 | BBL100529 | 2-(PHENYLTHIO)PYRIDINE-3-CARBONYLCHLORIDE | AKOS005254452 | FT-0677608 | A819287 | J-016950 | Pyrimi
Specifications & Purity
≥97%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488187964
Canonical SmilesC1=CN=C(N=C1F)F
IUPAC Name2,4-difluoropyrimidine
InChIKeyJZSYSXZDIQUOGP-UHFFFAOYSA-N
INCHI1S/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H
Isomeric SMILES C1=CN=C(N=C1F)F
WGK Germany 3
Molecular Weight 116.07
Reaxy-Rn 742196
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742196&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.

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
ClassDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Halopyrimidines
Direct Parent2-halopyrimidines
Alternative Parents Aryl fluorides  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-halopyrimidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
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.

5 results found

Lot NumberCertificate TypeDateItem
B2309461Certificate of AnalysisDec 03, 2022 D169237
B2309599Certificate of AnalysisDec 03, 2022 D169237
B2309633Certificate of AnalysisDec 03, 2022 D169237
B2309644Certificate of AnalysisDec 03, 2022 D169237
B2309831Certificate of AnalysisDec 03, 2022 D169237
Chemical and Physical Properties
SensitivityMoisture sensitive
Refractive Index20/D 1.432
Flash Point(°F)105.8 °F
Flash Point(°C)41 °C
Boil Point(°C)118-120 °C
Molecular Weight116.070 g/mol
XLogP31.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass116.019 Da
Monoisotopic Mass116.019 Da
Topological Polar Surface Area25.800 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.400
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
Reviews

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