4-(4-bromophenylazo)phenol - ≥98% , CAS No.3035-94-7

CAS: 3035-94-7 Cat. No.: B138640 分子式: C₁₂H₉BrN₂O 分子量: 277.12 EC番号: 636-897-6

GRADE & PURITY ≥98%

Synonyms

AKOS022173401 | 4-[2-(4-Bromophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one | BDBM50111585 | 4-(p-Bromophenylazo)phenol | 4-[2-(4-bromophenyl)diazen-1-yl]phenol | 4-Bromo-4'-hydroxyazobenzene | F16658 | BRN 0958207 | 4-methoxy-4'-bromoazobenzene | AS-636

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AKOS022173401 | 4-[2-(4-Bromophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one | BDBM50111585 | 4-(p-Bromophenylazo)phenol | 4-[2-(4-bromophenyl)diazen-1-yl]phenol | 4-Bromo-4'-hydroxyazobenzene | F16658 | BRN 0958207 | 4-methoxy-4'-bromoazobenzene | AS-636

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488188608
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488188608
• カノニカル・スマイル: C1=CC(=CC=C1N=NC2=CC=C(C=C2)Br)O
• IUPAC Name: 4-[(4-bromophenyl)diazenyl]phenol
• InChIKey: YEBZABRSUREBDG-UHFFFAOYSA-N
• INCHI: 1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H
• 異性体SMILES: C1=CC(=CC=C1N=NC2=CC=C(C=C2)Br)O
• RTECS: SJ8380000
• 分子量: 277.12
• Reaxy-Rn: 958207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=958207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated 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

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 161 °C
• 分子量: 277.120 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 275.99 Da
• Monoisotopic Mass: 275.99 Da
• Topological Polar Surface Area: 45.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 231.000
• 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

よくある質問

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 3035-94-7, the molecular formula is C12H9BrN2O, and the molecular weight is 277.12 g/mol. InChIKey YEBZABRSUREBDG-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.