3,4-Dimethoxybromobenzene - ≥98% , CAS No.2859-78-1

CAS: 2859-78-1 Cat. No.: B101976 Fórmula: C₈H₉BrO₂ Peso molecular: 217.06 Beilstein Registry Number: 2046884 Número EC: 220-677-8

GRADE & PURITY ≥98%

Synonyms

4-Bromo-1,2-dimethoxybenzene | 4-bromo-1,2-dimethoxy-benzene | AI3-21224 | 4-bromanyl-1,2-dimethoxy-benzene | 4-bromoveratrol | AM61447 | SY004442 | 9GX67R5G8J | AKOS000178813 | EN300-35674 | FT-0617929 | p-Bromoveratrole | AS-13440 | Diindolo(3,2-b:3',2'

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Bromo-1,2-dimethoxybenzene | 4-bromo-1,2-dimethoxy-benzene | AI3-21224 | 4-bromanyl-1,2-dimethoxy-benzene | 4-bromoveratrol | AM61447 | SY004442 | 9GX67R5G8J | AKOS000178813 | EN300-35674 | FT-0617929 | p-Bromoveratrole | AS-13440 | Diindolo(3,2-b:3',2'

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185211
• Sonrisas canónicas: COC1=C(C=C(C=C1)Br)OC
• IUPAC Name: 4-bromo-1,2-dimethoxybenzene
• InChIKey: KBTMGSMZIKLAHN-UHFFFAOYSA-N
• INCHI: 1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
• Isómeros SMILES: COC1=C(C=C(C=C1)Br)OC
• WGK Alemania: 3
• Peso molecular: 217.06
• Beilstein: 2046884
• Reaxy-Rn: 2046884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

• Solubilidad: Soluble in benzene, ether, toluene.
• Índice de refracción: 1.573
• Punto de inflamación (°F): 228.2 °F
• Punto de inflamación (°C): 109°C
• Punto de ebullición (°C): 255-256°C
• Peso molecular: 217.060 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.979 Da
• Monoisotopic Mass: 215.979 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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

Preguntas frecuentes

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 2859-78-1, the molecular formula is C8H9BrO2, and the molecular weight is 217.06 g/mol. InChIKey KBTMGSMZIKLAHN-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.