1-(3,5-Difluorophenyl)ethanamine - ≥98% , CAS No.321318-29-0

CAS: 321318-29-0 Cat. No.: D588717 Summenformel: C₈H₉NF₂ Molekulargewicht: 157.16 EG-Nummer: 879-254-7

GRADE & PURITY ≥98%

Synonyms

(AlphaS)-3,5-difluoro-alpha-methylbenzenemethanamine | 1-(3,5-difluorophenyl)ethanamine | Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)- | rac-1-(3,5-difluorophenyl)ethylamine | AS-33202 | MFCD04038286 | 1-(3,5-Difluorophenyl)ethylamine | J-018

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

(AlphaS)-3,5-difluoro-alpha-methylbenzenemethanamine | 1-(3,5-difluorophenyl)ethanamine | Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaS)- | rac-1-(3,5-difluorophenyl)ethylamine | AS-33202 | MFCD04038286 | 1-(3,5-Difluorophenyl)ethylamine | J-018

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504762112

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762112

Kanonisches Lächeln

CC(C1=CC(=CC(=C1)F)F)N

IUPAC Name

1-(3,5-difluorophenyl)ethanamine

InChIKey

XTIXPIMMHGCRJD-UHFFFAOYSA-N

INCHI

1S/C8H9F2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3

Isomere SMILES

CC(C1=CC(=CC(=C1)F)F)N

Molekulargewicht

157.16

Reaxy-Rn

13674744

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13674744&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aralkylamines Aryl fluorides Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Empfindlichkeit: light sensitive
• Molekulargewicht: 157.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.07 Da
• Monoisotopic Mass: 157.07 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

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, protected from light, 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.