3-Bromo-5-methylphenylboronic acid(contains varying amounts of Anhydride) - ≥97% , CAS No.849062-36-8

CAS: 849062-36-8 Cat. No.: B186937 Peso molecular: 214.9 Número EC: 898-215-5

GRADE & PURITY ≥97%

Synonyms

MFCD06411355 | AS-18797 | 3-Bromo-5-methylbenzeneboronic acid | A841003 | SY110024 | EN300-7370373 | F10514 | AB25255 | SCHEMBL3755288 | ZIB06236 | FT-0644906 | AMY29939 | 3-Bromo-5-methylphenylboronic acid | KKEPYOBFWSGWLQ-UHFFFAOYSA-N | DTXSID70584488 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD06411355 | AS-18797 | 3-Bromo-5-methylbenzeneboronic acid | A841003 | SY110024 | EN300-7370373 | F10514 | AB25255 | SCHEMBL3755288 | ZIB06236 | FT-0644906 | AMY29939 | 3-Bromo-5-methylphenylboronic acid | KKEPYOBFWSGWLQ-UHFFFAOYSA-N | DTXSID70584488 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504768277
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768277
• Sonrisas canónicas: B(C1=CC(=CC(=C1)Br)C)(O)O
• IUPAC Name: (3-bromo-5-methylphenyl)boronic acid
• InChIKey: KKEPYOBFWSGWLQ-UHFFFAOYSA-N
• INCHI: 1S/C7H8BBrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
• Isómeros SMILES: B(C1=CC(=CC(=C1)Br)C)(O)O
• WGK Alemania: 3
• Peso molecular: 214.9
• Reaxy-Rn: 18349577
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18349577&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Toluenes Aryl bromides Boronic acids Organic metalloid salts Organobromides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Bromobenzene - Aryl halide - Aryl bromide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organobromide - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: heat sensitive
• Punto de fusión (°C): 276-283°C
• Peso molecular: 214.850 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.98 Da
• Monoisotopic Mass: 213.98 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 132.000
• 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

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