2-Bromobenzoyl Chloride - ≥98% , CAS No.7154-66-7

CAS: 7154-66-7 Cat. No.: B152052 Fórmula: C₇H₄BrClO Peso molecular: 219.46 Beilstein Registry Number: 508506 Número EC: 230-507-4

GRADE & PURITY ≥98%

Synonyms

PS-10798 | NSC 73706 | STL445664 | Benzoyl chloride, 2-bromo- | BENZOYL CHLORIDE, o-BROMO- | AKOS000268709 | bromo benzoylchloride | SCHEMBL123057 | bromobenzoic acid chloride | 2-bromobenzene-1-carbonyl chloride | o-Brombenzoylchlorid | A837240 | EN300-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

PS-10798 | NSC 73706 | STL445664 | Benzoyl chloride, 2-bromo- | BENZOYL CHLORIDE, o-BROMO- | AKOS000268709 | bromo benzoylchloride | SCHEMBL123057 | bromobenzoic acid chloride | 2-bromobenzene-1-carbonyl chloride | o-Brombenzoylchlorid | A837240 | EN300-1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 508808393
• Sonrisas canónicas: C1=CC=C(C(=C1)C(=O)Cl)Br
• IUPAC Name: 2-bromobenzoyl chloride
• InChIKey: NZCKTGCKFJDGFD-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrClO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
• Isómeros SMILES: C1=CC=C(C(=C1)C(=O)Cl)Br
• WGK Alemania: 3
• RTECS: DM6635000
• Número ONU: 3265
• Grupo de embalaje: II
• Peso molecular: 219.46
• Beilstein: 508506
• Reaxy-Rn: 508506
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508506&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 Bromobenzenes Aryl bromides Vinylogous halides Acyl chlorides Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Acyl halide - Acyl chloride - Organochloride - Organobromide - 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: 1.59
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 245°C(lit.)
• Punto de fusión (°C): 8-10 °C
• Peso molecular: 219.460 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 217.913 Da
• Monoisotopic Mass: 217.913 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• 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. Xinyi Chen, Rui Wang, Yuhua Du, Yonghong Mou, Yan Gong, Xueyu Zhao, Wenzhong Li, Xin Li, Jin Wang, Yuancong Zhao.  (2024)  Reactive oxygen species-responsive coating based on Ebselen: Antioxidation, pro-endothelialization and anti-hyperplasia for surface modification of cardiovascular stent.  COLLOIDS AND SURFACES B-BIOINTERFACES,      [PMID:39405950] [10.1016/j.colsurfb.2024.114314]