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

CAS: 2802-61-1 Cat. No.: D169237 분자식: C₄H₂F₂N₂ 분자량: 116.07 EC 번호: 631-074-8

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

Room temperature,Argon charged

Shipped In

Normal

개요

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

동의어

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

사양 및 순도

≥97%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

488187964

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187964

정식 스마일

C1=CN=C(N=C1F)F

IUPAC Name

2,4-difluoropyrimidine

InChIKey

JZSYSXZDIQUOGP-UHFFFAOYSA-N

INCHI

1S/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H

이성체 SMILES

C1=CN=C(N=C1F)F

WGK 독일

3

분자량

116.07

Reaxy-Rn

742196

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742196&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Halopyrimidines
          • Level6 2-halopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Halopyrimidines
• Direct Parent: 2-halopyrimidines
• Alternative Parents: Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic 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
• 설명: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 감도: Moisture sensitive
• 굴절률: 20/D 1.432
• 발화점(°F): 105.8 °F
• 발화점(°C): 41 °C
• 끓는점(°C): 118-120 °C
• 분자량: 116.070 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 116.019 Da
• Monoisotopic Mass: 116.019 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2802-61-1, the molecular formula is C4H2F2N2, and the molecular weight is 116.07 g/mol. InChIKey JZSYSXZDIQUOGP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.