5-Amino-2,4-dichlorophenylboronic acid - ≥97% , CAS No.948592-69-6

CAS: 948592-69-6 Cat. No.: A188564 分子式: C₆H₆BCl₂NO₂ 分子量: 205.8

GRADE & PURITY ≥97%

Synonyms

5-AMINO-2,4-DICHLOROPHENYLBORONIC ACID | SB77875 | YMB59269 | BS-24673 | A859240 | DTXSID70681724 | D85825 | (5-Amino-2,4-dichlorophenyl)boronicacid | (5-Amino-2,4-dichlorophenyl)boronic acid | SCHEMBL3190397 | AKOS015893344 | MFCD18783121

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

5-AMINO-2,4-DICHLOROPHENYLBORONIC ACID | SB77875 | YMB59269 | BS-24673 | A859240 | DTXSID70681724 | D85825 | (5-Amino-2,4-dichlorophenyl)boronicacid | (5-Amino-2,4-dichlorophenyl)boronic acid | SCHEMBL3190397 | AKOS015893344 | MFCD18783121

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: B(C1=CC(=C(C=C1Cl)Cl)N)(O)O
• IUPAC Name: (5-amino-2,4-dichlorophenyl)boronic acid
• InChIKey: PBNYZHWDFGLNPP-UHFFFAOYSA-N
• INCHI: 1S/C6H6BCl2NO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2,11-12H,10H2
• 異性体SMILES: B(C1=CC(=C(C=C1Cl)Cl)N)(O)O
• 分子量: 205.8
• Reaxy-Rn: 37869861
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37869861&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aniline and substituted anilines Aryl chlorides Boronic acids Organic metalloid salts Primary amines Organopnictogen compounds Organometalloid compounds Organochlorides Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aniline or substituted anilines - Aryl chloride - Aryl halide - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organonitrogen compound - Organochloride - Organic metalloid moeity - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 205.830 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.987 Da
• Monoisotopic Mass: 204.987 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% 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 948592-69-6, the molecular formula is C6H6BCl2NO2, and the molecular weight is 205.8 g/mol. InChIKey PBNYZHWDFGLNPP-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.