4-(Benzyloxy)-3,5-dichlorophenylboronic acid - ≥98% , CAS No.1003298-85-8

CAS: 1003298-85-8 Cat. No.: B178687 Fórmula: C₁₃H₁₁BCl₂O₃ Peso molecular: 296.9

GRADE & PURITY ≥98%

Synonyms

AB17228 | A897478 | (4-(Benzyloxy)-3,5-dichlorophenyl)boronicacid | (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid | 1003298-85-8 | 4-(Benzyloxy)-3,5-dichlorophenylboronic acid | (4-Benzyloxy-3,5-dichloro-phenyl)boronic acid | PS-9607 | Boronic acid, B-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB17228 | A897478 | (4-(Benzyloxy)-3,5-dichlorophenyl)boronicacid | (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid | 1003298-85-8 | 4-(Benzyloxy)-3,5-dichlorophenylboronic acid | (4-Benzyloxy-3,5-dichloro-phenyl)boronic acid | PS-9607 | Boronic acid, B-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: B(C1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)Cl)(O)O
• IUPAC Name: (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
• InChIKey: BAXPPGSWZDNMOG-UHFFFAOYSA-N
• INCHI: 1S/C13H11BCl2O3/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
• SMILES isoméricas: B(C1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)Cl)(O)O
• Peso molecular: 296.9
• Reaxy-Rn: 39074689
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39074689&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Boronic acids Organic metalloid salts Organometalloid compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Boronic acid derivative - Boronic acid - Ether - Organic metalloid salt - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Organochloride - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Propriedades químicas e físicas

• Peso molecular: 296.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 296.018 Da
• Monoisotopic Mass: 296.018 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 263.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% 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 1003298-85-8, the molecular formula is C13H11BCl2O3, and the molecular weight is 296.9 g/mol. InChIKey BAXPPGSWZDNMOG-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.