Benzoyl Bromide - ≥98%(GC)(T) , CAS No.618-32-6

CAS: 618-32-6 Cat. No.: B152056 Summenformel: C₇H₅BrO Molekulargewicht: 185.02 Beilstein Registry Number: 1855440 EG-Nummer: 210-544-2

GRADE & PURITY ≥98%(GC)(T)

Synonyms

AMY202100108 | Benzoyl bromide, 97% | MFCD00000112 | Benzoic acid bromide;Benzenecarbonyl bromide | FT-0632584 | SY051437 | benzoylbromid | E79YZ864U3 | InChI=1/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5 | BENZOYL BROMIDE | EN300-19688 | UNII-E79YZ864U3 | B0104 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Benzoyl bromide is a versatile reagent which causes the benzoylation of ethers.
Benzoyl bromide was used to study the kinetics of solvolysis of benzoyl halides in microemulsions of sodium bis(2-ethylhexyl)sulfosuccinate/isooctane/water at 25°C.

Specifications

Synonyme

AMY202100108 | Benzoyl bromide, 97% | MFCD00000112 | Benzoic acid bromide;Benzenecarbonyl bromide | FT-0632584 | SY051437 | benzoylbromid | E79YZ864U3 | InChI=1/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5 | BENZOYL BROMIDE | EN300-19688 | UNII-E79YZ864U3 | B0104 |

Spezifikationen & Reinheit

≥98%(GC)(T)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)(T)

Namen und Kennungen

• Pubchem Sid: 508816418
• Kanonisches Lächeln: C1=CC=C(C=C1)C(=O)Br
• IUPAC Name: benzoyl bromide
• InChIKey: AQIHMSVIAGNIDM-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H
• Isomere SMILES: C1=CC=C(C=C1)C(=O)Br
• WGK Deutschland: 3
• Molekulargewicht: 185.02
• Beilstein: 1855440
• Reaxy-Rn: 1855439
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1855439&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Acyl bromides Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Acyl halide - Acyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light & Moisture sensitive
• Brechungsindex: 1.59
• Flammpunkt (°F): 194 °F
• Flammpunkt (°C): 90 °C
• Siedepunkt (°C): 219 °C
• Schmelzpunkt (°C): -24 °C
• Molekulargewicht: 185.020 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 183.952 Da
• Monoisotopic Mass: 183.952 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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