2,4-Difluorobencilamina - ≥98% , CAS No.72235-52-0

CAS: 72235-52-0 Cat. No.: D122767 Peso molecular: 143.13 Beilstein Registry Number: 3539259 Número EC: 276-502-0

GRADE & PURITY ≥98%

Synonyms

2,4-difluorbenzylamine | AM62087 | STK503663 | D1996 | UNII-8B7TQJ9CFS | N-difluorobenzylamine | 2,4-difluorobenzenemethanamine | MFCD00010142 | QDZZDVQGBKTLHV-UHFFFAOYSA-N | 2,4-difluorobenzyl amine | A22194 | Benzenemethanamine, 2,4-difluoro- | F2190-05

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

Aplicación

la 2,4-Difluorobencilamina se ha utilizado en la síntesis de βAla-Aib(N-fluoroarilmetil)], dipéptido de nucleobase no polar mediante la reacción de condensación de cuatro componentes de Ugi.

Specifications

Sinónimos

2, 4-difluorbenzylamine | AM62087 | STK503663 | D1996 | UNII-8B7TQJ9CFS | N-difluorobenzylamine | 2, 4-difluorobenzenemethanamine | MFCD00010142 | QDZZDVQGBKTLHV-UHFFFAOYSA-N | 2, 4-difluorobenzyl amine | A22194 | Benzenemethanamine, 2, 4-difluoro- | F2190-05

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1F)F)CN
• IUPAC Name: (2,4-difluorophenyl)methanamine
• InChIKey: QDZZDVQGBKTLHV-UHFFFAOYSA-N
• INCHI: 1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
• Isómeros SMILES: C1=CC(=C(C=C1F)F)CN
• WGK Alemania: 3
• Peso molecular: 143.13
• Beilstein: 3539259
• Reaxy-Rn: 3539259
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3539259&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: Air Sensitive；Heat sensitive
• Índice de refracción: 1.491
• Punto de inflamación (°F): 154.4 °F
• Punto de inflamación (°C): 68°C(Lit.)
• Punto de ebullición (°C): 55-57°C/8mmHg
• Peso molecular: 143.130 g/mol
• XLogP3: 1.000
• 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: 108.000
• 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

Referencias

1. Qian-Qian Chu, Zhijian Sun, Yan Liu, Hao Cui, Bo Cheng, Davoud Dastan, Kyoung-sik Moon, Guan-Jun Yang, Ching-Ping Wong.  (2022)  Difluorobenzylamine Treatment of Organolead Halide Perovskite Boosts the High Efficiency and Stability of Photovoltaic Cells.  ACS Applied Materials & Interfaces,      [PMID:35212534] [10.1021/acsami.1c23292]