3,5-Difluoroaniline - ≥98% , CAS No.372-39-4

CAS: 372-39-4 Cat. No.: D123407 Summenformel: C₆H5F₂N Molekulargewicht: 129.11 Beilstein Registry Number: 2802286 EG-Nummer: 206-752-8

GRADE & PURITY ≥98%

Synonyms

magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate | SCHEMBL427347 | 3,5 difluoroaniline | 5AN | 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno(3,2-c)pyridin-2(4h)-one | FT-0614587 | A25250 | Q27094167 | BP-11914 | 3,5-Difl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

In vitro nephrotoxic effects of 3,5-difluoroaniline has been investigated in renal cortical slices obtained from the kidneys of untreated, male Fischer 344 rats.

Specifications

Synonyme

magnesium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate | SCHEMBL427347 | 3,5 difluoroaniline | 5AN | 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-5,6,7,7a-tetrahydrothieno(3,2-c)pyridin-2(4h)-one | FT-0614587 | A25250 | Q27094167 | BP-11914 | 3,5-Difl

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504756325
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756325
• Kanonisches Lächeln: C1=C(C=C(C=C1F)F)N
• IUPAC Name: 3,5-difluoroaniline
• InChIKey: KQOIBXZRCYFZSO-UHFFFAOYSA-N
• INCHI: 1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
• Isomere SMILES: C1=C(C=C(C=C1F)F)N
• WGK Deutschland: 3
• Molekulargewicht: 129.11
• Beilstein: 2802286
• Reaxy-Rn: 2802286
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802286&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Soluble in Toluene
• Empfindlichkeit: air & light sensitive
• Flammpunkt (°F): 167 °F
• Flammpunkt (°C): 75°C(167°F)
• Siedepunkt (°C): 82°C/20mmHg
• Schmelzpunkt (°C): 37.0-41.0°C
• Molekulargewicht: 129.110 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.039 Da
• Monoisotopic Mass: 129.039 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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

Häufig gestellte Fragen

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 is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C 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 372-39-4, the molecular formula is C6H5F2N, and the molecular weight is 129.11 g/mol. InChIKey KQOIBXZRCYFZSO-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.