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

CAS: 1008106-93-1 Cat. No.: D178718 Formula: C₆H₅BBr₂O₂ Peso molecolare: 279.7 Numero 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

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Proprietà del prodotto

• hba_count: 2
• Conteggio HBD: 2
• Legame rotabile: 1

Nomi e identificatori

• Pubchem Sid: 504765212
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765212
• Sorrisi canonici: 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
• Isomeri SMILES: B(C1=C(C=CC(=C1)Br)Br)(O)O
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

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.