4-Bromobenzamide - ≥98%(HPLC) , CAS No.698-67-9

CAS: 698-67-9 Cat. No.: B133990 Formule: BrC₆H₄CONH₂ Poids moléculaire: 200.03 Numéro CE: 211-817-9

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

Q5Y2274MYS | SB77820 | NSC 404792 | PD121459 | FT-0617857 | EINECS 211-817-9 | Z33546526 | STL367696 | 4-Bromobenzamide, 97% | BDBM50106186 | BRN 1859981 | SY020099 | 4-Bromobenzamide | 4-Bromo-benzamide | Benzamide, 4-bromo- | STR03150 | B4216 | AKOS0002

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

4-Bromobenzamide was used in the preparation of (N-benzylpiperidin-4-yl)-4-tri-n-butylstannylbenzamide

Spécifications

Synonymes

Q5Y2274MYS | SB77820 | NSC 404792 | PD121459 | FT-0617857 | EINECS 211-817-9 | Z33546526 | STL367696 | 4-Bromobenzamide, 97% | BDBM50106186 | BRN 1859981 | SY020099 | 4-Bromobenzamide | 4-Bromo-benzamide | Benzamide, 4-bromo- | STR03150 | B4216 | AKOS0002

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

488184382

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184382

Sourires canoniques

C1=CC(=CC=C1C(=O)N)Br

IUPAC Name

4-bromobenzamide

InChIKey

ZRWNRAJCPNLYAK-UHFFFAOYSA-N

INCHI

1S/C7H6BrNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

Isomères SMILES

C1=CC(=CC=C1C(=O)N)Br

WGK Allemagne

3

RTECS

CV2365800

Poids moléculaire

200.03

Reaxy-Rn

1859981

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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: Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 190-193°C
• Poids moléculaire: 200.030 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.963 Da
• Monoisotopic Mass: 198.963 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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