4-Bromoanisole - ≥99% , CAS No.104-92-7

CAS: 104-92-7 Cat. No.: B108656 Formula: C₇H₇BrO Peso molecolare: 187.03 Beilstein Registry Number: 1237590 Numero EC: 203-252-1

GRADE & PURITY ≥99%

Synonyms

InChI=1/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H | 4-anisyl bromide | CHEBI:47257 | STR04213 | B0547 | p-Bromophenyl methyl ether | AKOS000119001 | AM20020130 | F0001-0093 | para-bromoanisole | parabromo-anisole | 1-methoxy-4-bromobenzene | p-Methoxyphenyl b

Storage

Protected from light,Room temperature

Shipped In

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Panoramica

4-Bromoanisole is a useful brominating reagent.It is formed as reaction product in the reaction between HOBr and anisole.Suzuki coupling of 4-bromoanisole with phenylboronic acid catalyzed by palladium pincer complexes has been studied. Heck Reaction of 4-bromoanisole with ethyl acrylates in room-temperature ionic liquids is reported to afford ethyl 4-methoxycinnamate

Specifications

Sinonimi

InChI=1/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H | 4-anisyl bromide | CHEBI:47257 | STR04213 | B0547 | p-Bromophenyl methyl ether | AKOS000119001 | AM20020130 | F0001-0093 | para-bromoanisole | parabromo-anisole | 1-methoxy-4-bromobenzene | p-Methoxyphenyl b

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488180543

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180543

Sorrisi canonici

COC1=CC=C(C=C1)Br

IUPAC Name

1-bromo-4-methoxybenzene

InChIKey

QJPJQTDYNZXKQF-UHFFFAOYSA-N

INCHI

1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

Isomeri SMILES

COC1=CC=C(C=C1)Br

WGK Germania

2

RTECS

BZ8501000

Peso molecolare

187.03

Beilstein

1237590

Reaxy-Rn

1237590

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237590&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: organobromine compound - monomethoxybenzene

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

• Solubilità: Immiscible with water.
• Sensibilità: Light sensitive.
• Punto di congelamento (°C): 12 °C
• Indice di rifrazione: 1.564
• Punto di infiammabilità (°F): 208.4 °F
• Punto di infiammabilità (°C): 94℃
• Punto di ebollizione (°C): 223 °C
• Punto di fusione (°C): 9-10°C
• Peso molecolare: 187.030 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.968 Da
• Monoisotopic Mass: 185.968 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• 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