cloruro de 2,6-difluorobenzoilo - ≥98% , CAS No.18063-02-0

CAS: 18063-02-0 Cat. No.: D133257 Peso molecular: 176.55 Beilstein Registry Number: 639438 Número EC: 241-971-2

GRADE & PURITY ≥98%

Synonyms

W-107809 | Cloruro de 2,6-difluorobenzoilo, 99% | A20286 | Cloruro de 2,6-difluorobenzoilo | AKOS000268644 | Cloruro de 2,6-difluoro benzoilo | EN300-1265909 | AS-38671 | D2798 | Cloruro de 2,6-diflourobenzoilo | BBL027303 | DTXSID90170988 | Cloruro de 2,

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Se ha utilizado en: la preparación de series de nuevas 4H-3,1-benzoxazin-4-onas sustituidas por 2-arilo; la síntesis regioselectiva de 3,6-aminoimidazo[1,2-a]piridina disustituida-2; la reacción de acilación de Friedel-Crafts de tolueno, anisol, tioanisol, 4-fenoxiacetofenona y N,N-diacetil-4-fenoxianilina

Specifications

Sinónimos

W-107809 | Cloruro de 2, 6-difluorobenzoilo, 99% | A20286 | Cloruro de 2, 6-difluorobenzoilo | AKOS000268644 | Cloruro de 2, 6-difluoro benzoilo | EN300-1265909 | AS-38671 | D2798 | Cloruro de 2, 6-diflourobenzoilo | BBL027303 | DTXSID90170988 | Cloruro de 2,

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C(=C1)F)C(=O)Cl)F
• IUPAC Name: 2,6-difluorobenzoyl chloride
• InChIKey: QRHUZEVERIHEPT-UHFFFAOYSA-N
• INCHI: 1S/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H
• Isómeros SMILES: C1=CC(=C(C(=C1)F)C(=O)Cl)F
• WGK Alemania: 1
• Número ONU: 2920
• Grupo de embalaje: II
• Peso molecular: 176.55
• Beilstein: 639438
• Reaxy-Rn: 639438
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639438&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 2-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 2-halobenzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Acyl chlorides Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Acyl halide - Acyl chloride - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.501
• Punto de inflamación (°C): 46 °C
• Punto de ebullición (°C): 72-77 °C/13 mmHg
• Peso molecular: 176.550 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.984 Da
• Monoisotopic Mass: 175.984 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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. Jierui Song, Yiming Xiao, Lei Zhang, Jun Xiang, Na Tang, Penggao Cheng, Jianping Zhang, Songbo Wang, Wei Du.  (2021)  Macromolecule sulfonated Poly(ether ether ketone) crosslinked poly(4,4′-diphenylether-5,5′-bibenzimidazole) proton exchange membranes: Broaden the temperature application range and enhanced mechanical properties.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2021.06.055]

2. Yanyan Li, Yan Zhou, Xiaoteng Jia, Xincai Liu, Ce Wang, Danming Chao.  (2017)  Synthesis and electrochromic performance of oligoaniline-containing polyureas capped with various functional groups.  JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,  56  (4): (412-419).  [PMID:] [10.1002/pola.28908]

3. Li Yanyan, Yin Mingying, Yan Ying, Wang Ce, Liu Xincai, Chao Danming.  (2017)  Synthesis and characterization of electrochromic polyurea containing oligoanilines and silicon groups.  MACROMOLECULAR RESEARCH,  25  (12): (1153-1157).  [PMID:] [10.1007/s13233-017-5157-y]