4-Bromo-2-chlorobenzamide - ≥98% , CAS No.426265-73-8

CAS: 426265-73-8 Cat. No.: B184487 Summenformel: C₇H₅BrClNO Molekulargewicht: 234.5

GRADE & PURITY ≥98%

Synonyms

KX79M6AR9Z | SCHEMBL1328959 | AKOS009988161 | DTXSID90619827 | Z448248264 | MFCD12026002 | 4-BROMO-2-CHLOROBENZAMIDE | Benzamide, 4-bromo-2-chloro- | E90684 | BS-28277 | BSA26573 | EN300-267490 | ORFWVGHYCXGUHS-UHFFFAOYSA-N | SB77065

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

KX79M6AR9Z | SCHEMBL1328959 | AKOS009988161 | DTXSID90619827 | Z448248264 | MFCD12026002 | 4-BROMO-2-CHLOROBENZAMIDE | Benzamide, 4-bromo-2-chloro- | E90684 | BS-28277 | BSA26573 | EN300-267490 | ORFWVGHYCXGUHS-UHFFFAOYSA-N | SB77065

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=C(C=C1Br)Cl)C(=O)N

IUPAC Name

4-bromo-2-chlorobenzamide

InChIKey

ORFWVGHYCXGUHS-UHFFFAOYSA-N

INCHI

1S/C7H5BrClNO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)

Isomere SMILES

C1=CC(=C(C=C1Br)Cl)C(=O)N

Molekulargewicht

234.5

Reaxy-Rn

14571560

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14571560&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Halobenzoic acids and derivatives
          • Ebene6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Vinylogous halides Primary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl bromide - Aryl chloride - Vinylogous halide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 234.480 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.924 Da
• Monoisotopic Mass: 232.924 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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