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

CAS: 72235-52-0 Cat. No.: D122767 Molecular Weight: 143.13 Beilstein Registry Number: 3539259 EC Number: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Application

2,4-Difluorobenzylamine has been used in the synthesis of βAla–Aib(N-fluoroarylmethyl)], nonpolar nucleobase dipeptide via Ugi four-component condensation reaction.

Specifications

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=C(C=C1F)F)CN
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive；Heat sensitive
• Refractive Index: 1.491
• Flash Point(°F): 154.4 °F
• Flash Point(°C): 68°C(Lit.)
• Boil Point(°C): 55-57°C/8mmHg
• Molecular Weight: 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

References

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]