(4-Chloro-3-fluorophenyl)methanamine - ≥95% , CAS No.72235-58-6

CAS: 72235-58-6 Cat. No.: C194761 Fórmula: C₇H₇ClFN Peso molecular: 159.59 Número CE: 675-113-7

GRADE & PURITY ≥95%

Synonyms

DTXSID30373936 | EN300-1259179 | Benzenemethanamine,4-chloro-3-fluoro- | DS-18178 | Benzenemethanamine, 4-chloro-3-fluoro- | SY103917 | SCHEMBL295912 | (4-chloro-3-fluorophenyl)methanamine | (4-chloro-3-fluoro-phenyl)methanamine | SB76033 | 4-chloro-3-flu

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID30373936 | EN300-1259179 | Benzenemethanamine,4-chloro-3-fluoro- | DS-18178 | Benzenemethanamine, 4-chloro-3-fluoro- | SY103917 | SCHEMBL295912 | (4-chloro-3-fluorophenyl)methanamine | (4-chloro-3-fluoro-phenyl)methanamine | SB76033 | 4-chloro-3-flu

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488193072
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193072
• Sorrisos canónicos: C1=CC(=C(C=C1CN)F)Cl
• IUPAC Name: (4-chloro-3-fluorophenyl)methanamine
• InChIKey: HSNPBYKCCNMQNA-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
• SMILES isoméricas: C1=CC(=C(C=C1CN)F)Cl
• Peso molecular: 159.59
• Reaxy-Rn: 14493595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14493595&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Fluorobenzenes Chlorobenzenes Aralkylamines Aryl fluorides Aryl chlorides Organopnictogen compounds Organofluorides Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Amine - Organohalogen compound - Primary aliphatic amine - Organochloride - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive;Moisture sensitive
• Índice de refração: 1.54
• Ponto de inflamação (°C): 85 °C
• Peso molecular: 159.590 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.025 Da
• Monoisotopic Mass: 159.025 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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

Perguntas frequentes

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 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 72235-58-6, the molecular formula is C7H7ClFN, and the molecular weight is 159.59 g/mol. InChIKey HSNPBYKCCNMQNA-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.