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

CAS: 372-39-4 Cat. No.: D123407 Formule: C₆H5F₂N Poids moléculaire: 129.11 Beilstein Registry Number: 2802286 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504756325

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756325

Sourires canoniques

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

Isomères SMILES

C1=C(C=C(C=C1F)F)N

WGK Allemagne

3

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Soluble in Toluene
• Sensibilité: air & light sensitive
• Point d'éclair (°F): 167 °F
• Point d'éclair (°C): 75°C(167°F)
• Point d'ébullition (°C): 82°C/20mmHg
• Point de fusion (°C): 37.0-41.0°C
• Poids moléculaire: 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

Foire aux questions

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.