2,4-Difluoro-5-nitrophenol - ≥97% , CAS No.113512-57-5

CAS: 113512-57-5 Cat. No.: D586424 Formula: C₆H₃F₂NO₃ Peso molecolare: 175.09 Numero EC: 642-816-5

GRADE & PURITY ≥97%

Synonyms

1R-1504 | SCHEMBL810816 | 2,4-difluoro-5-nitrobenzenol, AldrichCPR | FT-0687030 | 2,4-Difluoro-5-nitrophenol | J-507206 | BBL102964 | 2,4-difluoro-5-nitro-phenol | 2,4-Difluoro-5-nitrobenzenol | EN300-245716 | SY204736 | DTXSID20448349 | MFCD08443942 | Ph

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

1R-1504 | SCHEMBL810816 | 2,4-difluoro-5-nitrobenzenol, AldrichCPR | FT-0687030 | 2,4-Difluoro-5-nitrophenol | J-507206 | BBL102964 | 2,4-difluoro-5-nitro-phenol | 2,4-Difluoro-5-nitrobenzenol | EN300-245716 | SY204736 | DTXSID20448349 | MFCD08443942 | Ph

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=C(C(=CC(=C1O)F)F)[N+](=O)[O-]

IUPAC Name

2,4-difluoro-5-nitrophenol

InChIKey

SMRYCTJAGPDVEH-UHFFFAOYSA-N

INCHI

1S/C6H3F2NO3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H

Isomeri SMILES

C1=C(C(=CC(=C1O)F)F)[N+](=O)[O-]

Peso molecolare

175.09

Reaxy-Rn

7871197

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7871197&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes P-fluorophenols Nitroaromatic compounds O-fluorophenols 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Organic salts Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 2-fluorophenol - 2-halophenol - 4-halophenol - 4-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

• Punto di fusione (°C): 112 - 120 °C
• Peso molecolare: 175.090 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 175.008 Da
• Monoisotopic Mass: 175.008 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 184.000
• 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 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 113512-57-5, the molecular formula is C6H3F2NO3, and the molecular weight is 175.09 g/mol. InChIKey SMRYCTJAGPDVEH-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.