2,5-Dibromophenylboronic acid - ≥95% , CAS No.1008106-93-1

CAS: 1008106-93-1 Cat. No.: D178718 Fórmula: C₆H₅BBr₂O₂ Peso molecular: 279.7 Número EC: 999-188-3

GRADE & PURITY ≥95%

Synonyms

DS-13660 | AM85128 | A897334 | AKOS015835204 | Boronic acid, B-(2,5-dibromophenyl)- | DTXSID80434622 | SY105578 | STL556118 | FT-0721355 | SCHEMBL7351244 | F30098 | (2,5-dibromophenyl)boronic Acid | 2,5-Dibromophenylboronic acid | 2,5-Dibromophenylboronic

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-13660 | AM85128 | A897334 | AKOS015835204 | Boronic acid, B-(2,5-dibromophenyl)- | DTXSID80434622 | SY105578 | STL556118 | FT-0721355 | SCHEMBL7351244 | F30098 | (2,5-dibromophenyl)boronic Acid | 2,5-Dibromophenylboronic acid | 2,5-Dibromophenylboronic

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Propiedades del producto

• hba_count: 2
• Recuento HBD: 2
• Enlace rotable: 1

Nombres e identificadores

• Pubchem Sid: 504765212
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765212
• Sonrisas canónicas: B(C1=C(C=CC(=C1)Br)Br)(O)O
• IUPAC Name: (2,5-dibromophenyl)boronic acid
• InChIKey: CMLBXUUGERIZOO-UHFFFAOYSA-N
• INCHI: 1S/C6H5BBr2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
• Isómeros SMILES: B(C1=C(C=CC(=C1)Br)Br)(O)O
• Peso molecular: 279.7
• Reaxy-Rn: 23607743
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23607743&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: Aryl bromides Boronic acids Organic metalloid salts Organometalloid compounds Organobromides Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organic metalloid moeity - 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

• Peso molecular: 279.720 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 279.873 Da
• Monoisotopic Mass: 277.875 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1008106-93-1, the molecular formula is C6H5BBr2O2, and the molecular weight is 279.7 g/mol. InChIKey CMLBXUUGERIZOO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.