3-Bromophenylacetyl chloride - ≥97% , CAS No.98288-51-8

CAS: 98288-51-8 Cat. No.: B469921 Summenformel: C₈H₆BrClO Molekulargewicht: 233.49 EG-Nummer: 689-429-8

GRADE & PURITY ≥97%

Synonyms

2-(3-bromophenyl)acetylChloride | AKOS011268639 | Benzeneacetyl chloride, 3-bromo- | 3-Bromophenylacetyl chloride, 97% | MFCD11052954 | DFKQZCVLSJIRES-UHFFFAOYSA-N | 2-(3-bromophenyl)acetyl Chloride | 3-Bromophenylacetyl chloride | meta-bromophenylacetyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

2-(3-bromophenyl)acetylChloride | AKOS011268639 | Benzeneacetyl chloride, 3-bromo- | 3-Bromophenylacetyl chloride, 97% | MFCD11052954 | DFKQZCVLSJIRES-UHFFFAOYSA-N | 2-(3-bromophenyl)acetyl Chloride | 3-Bromophenylacetyl chloride | meta-bromophenylacetyl

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=CC(=C1)Br)CC(=O)Cl

IUPAC Name

2-(3-bromophenyl)acetyl chloride

InChIKey

DFKQZCVLSJIRES-UHFFFAOYSA-N

INCHI

1S/C8H6BrClO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2

Isomere SMILES

C1=CC(=CC(=C1)Br)CC(=O)Cl

WGK Deutschland

3

Molekulargewicht

233.49

Reaxy-Rn

2613779

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2613779&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Acyl chlorides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom 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

• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Molekulargewicht: 233.490 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 231.929 Da
• Monoisotopic Mass: 231.929 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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