2,6-Difluorobenzylamine - ≥98%(GC) , CAS No.69385-30-4

CAS: 69385-30-4 Cat. No.: D123484 Peso molecular: 143.13 Beilstein Registry Number: 2716771 Número EC: 273-983-9

GRADE & PURITY ≥98%(GC)

Synonyms

D1847 | 1-(2,6-difluorophenyl)methanamine | EN300-108517 | SR-01000944757-1 | 2,6-difluorobenzyl amine | AKOS000138358 | Benzenemethanamine, 2,6-difluoro- | F2190-0495 | Mitsui Chrome Violet BC | (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(2-amino-6-oxo-1H-purin-9

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Application：

2,6-Difluorobenzylamine has been used in the synthesis of:(Z)-N1-(2,6-difluorobenzyl)-N2-(2-amino-1,2-dicyanovinyl)formamidine；2,6-difluorobenzyl-guanidine hydrochloride

Specifications

Sinónimos

D1847 | 1-(2, 6-difluorophenyl)methanamine | EN300-108517 | SR-01000944757-1 | 2, 6-difluorobenzyl amine | AKOS000138358 | Benzenemethanamine, 2, 6-difluoro- | F2190-0495 | Mitsui Chrome Violet BC | (2R, 3R, 4R, 5R)-2-(acetoxymethyl)-5-(2-amino-6-oxo-1H-purin-9

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C(=C1)F)CN)F
• IUPAC Name: (2,6-difluorophenyl)methanamine
• InChIKey: PQCUDKMMPTXMAL-UHFFFAOYSA-N
• INCHI: 1S/C7H7F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
• Isómeros SMILES: C1=CC(=C(C(=C1)F)CN)F
• WGK Alemania: 3
• Peso molecular: 143.13
• Beilstein: 2716771
• Reaxy-Rn: 2716771
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716771&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Amine - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Sensitive to air;Moisture sensitive
• Índice de refracción: 1.493
• Punto de inflamación (°F): 150.8 °F
• Punto de inflamación (°C): 65 °C
• Punto de ebullición (°C): 174-177°C
• Peso molecular: 143.130 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.055 Da
• Monoisotopic Mass: 143.055 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.800
• 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