2,4-Difluorophenyl isocyanate - ≥99% , CAS No.59025-55-7

CAS: 59025-55-7 Cat. No.: D103564 Formula: F₂C₆H₃NCO Peso molecolare: 155.1 Beilstein Registry Number: 2831577 Numero EC: 628-125-1

GRADE & PURITY ≥99%

Synonyms

SCHEMBL76596 | Benzene, 2,4-difluoro-1-isocyanato- | 2,4-difluoro-1-isocyanato benzene | MFCD00001997 | 2,4-difluoro phenyl isocyanate | PS49_SUPELCO | Benzene, 2,4-difluoro-1-isocyanato- (9CI);Isocyanic Acid 2,4-Difluorophenyl Ester | 2,4-Difluoro-1-isoc

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

It has been used: In the synthesis of N,N-disubstituted S,N′-diarylisothioureas; As blocking reagent, to modify the hydroxyl, amine and epoxide functional groups of cured MY720/DDS epoxy thin films.

Specifications

Sinonimi

SCHEMBL76596 | Benzene, 2,4-difluoro-1-isocyanato- | 2,4-difluoro-1-isocyanato benzene | MFCD00001997 | 2,4-difluoro phenyl isocyanate | PS49_SUPELCO | Benzene, 2,4-difluoro-1-isocyanato- (9CI);Isocyanic Acid 2,4-Difluorophenyl Ester | 2,4-Difluoro-1-isoc

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 508807691
• Sorrisi canonici: C1=CC(=C(C=C1F)F)N=C=O
• IUPAC Name: 2,4-difluoro-1-isocyanatobenzene
• InChIKey: HNENEALJPWJWJY-UHFFFAOYSA-N
• INCHI: 1S/C7H3F2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
• Isomeri SMILES: C1=CC(=C(C=C1F)F)N=C=O
• WGK Germania: 3
• Numero UN: 2478
• Peso molecolare: 155.1
• Beilstein: 2831577
• Reaxy-Rn: 2831577
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2831577&ln=

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: Aryl fluorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl fluoride - Aryl halide - Isocyanate - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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

• Sensibilità: Moisture Sensitive
• Indice di rifrazione: 1.49
• Punto di infiammabilità (°F): 131 °F
• Punto di infiammabilità (°C): 50°C
• Punto di ebollizione (°C): 42°C/6mmHg
• Peso molecolare: 155.100 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.018 Da
• Monoisotopic Mass: 155.018 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 179.000
• 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