(R)-1-(3-cloro-5-fluorofenil)etanamina - ≥95% , CAS No.1217475-54-1

CAS: 1217475-54-1 Cat. No.: E735201 PubChem CID: 45072408

GRADE & PURITY ≥95%

Storage

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

(1R)-1-(3-chloro-5-fluorophenyl)ethanamine

InChIKey

BVVJDCFVSXSRBB-RXMQYKEDSA-N

INCHI

1S/C8H9ClFN/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m1/s1

Isomeri SMILES

C[C@H](C1=CC(=CC(=C1)Cl)F)N

PubChem CID

45072408

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl fluorides Aryl chlorides Organofluorides Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Amine - Organochloride - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 173.610 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.041 Da
• Monoisotopic Mass: 173.041 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 131.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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 ≥95% 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, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1217475-54-1. InChIKey BVVJDCFVSXSRBB-RXMQYKEDSA-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.