2-(Difluoromethoxy)-5-nitropyridine - ≥97% , CAS No.1192813-41-4

CAS: 1192813-41-4 Cat. No.: D189993 Formula: C₆H₄F₂N₂O₃ Peso molecolare: 190.1 Numero EC: 828-906-9

GRADE & PURITY ≥97%

Synonyms

SCHEMBL6844998 | MFCD11847317 | AKOS025146742 | 2-Difluoromethoxy-5-nitropyridine | 2-difluoromethoxy-5-nitro-pyridine | IERHMWFFPCUXIS-UHFFFAOYSA-N | 2-(DIFLUOROMETHOXY)-5-NITROPYRIDINE | SCHEMBL558792 | EN300-202702 | WLHADOSXRICWAB-UHFFFAOYSA-N | DS-88

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL6844998 | MFCD11847317 | AKOS025146742 | 2-Difluoromethoxy-5-nitropyridine | 2-difluoromethoxy-5-nitro-pyridine | IERHMWFFPCUXIS-UHFFFAOYSA-N | 2-(DIFLUOROMETHOXY)-5-NITROPYRIDINE | SCHEMBL558792 | EN300-202702 | WLHADOSXRICWAB-UHFFFAOYSA-N | DS-88

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=CC(=NC=C1[N+](=O)[O-])OC(F)F

IUPAC Name

2-(difluoromethoxy)-5-nitropyridine

InChIKey

WLHADOSXRICWAB-UHFFFAOYSA-N

INCHI

1S/C6H4F2N2O3/c7-6(8)13-5-2-1-4(3-9-5)10(11)12/h1-3,6H

Isomeri SMILES

C1=CC(=NC=C1[N+](=O)[O-])OC(F)F

Peso molecolare

190.1

Reaxy-Rn

19553940

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19553940&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic salt - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 190.100 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 190.019 Da
• Monoisotopic Mass: 190.019 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 185.000
• 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

Domande frequenti

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 should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 1192813-41-4, the molecular formula is C6H4F2N2O3, and the molecular weight is 190.1 g/mol. InChIKey WLHADOSXRICWAB-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.