4-Bromo-3-methylphenol - ≥98%(GC) , CAS No.14472-14-1

CAS: 14472-14-1 Cat. No.: B124282 Fórmula: C₇H₇BrO Peso molecular: 187.03 Beilstein Registry Number: 1859122 Número CE: 238-464-3

GRAU & PUREZA ≥98%(GC)

Synonyms

4-bromo-5-methyl-phenol | 4-bromo-3-methyl phenol | 9KTP3W6RV2 | AS-17315 | SB33667 | SCHEMBL49999 | Z401597308 | EINECS 238-464-3 | EN300-111587 | InChI=1/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H | AC-6544 | BP-12644 | Phenol, 4-bromo-3-methyl- | 4-Bromo-

Storage

Room temperature

Shipped In

Normal

Visão geral

description：

4-Bromo-3-methylphenol is a brominated phenol. It participates in the total synthesis of 3-methylcalix[4]arene.

application：

4-Bromo-3-methylphenol may be used in the synthesis of bromo[2-methyl-4-[2-(t-butyldimethylsilyloxy)ethyloxy]phenyl]bis(triphenylphopshine)nickel(II) (protected alcohol-functionalized initiator) and bromo-[2-methyl-4-[6-(t-butyldimethylsilyloxy)hexyloxy]phenyl] bis(triphenylphosphine) nickel.

Especificações

Sinónimos

4-bromo-5-methyl-phenol | 4-bromo-3-methyl phenol | 9KTP3W6RV2 | AS-17315 | SB33667 | SCHEMBL49999 | Z401597308 | EINECS 238-464-3 | EN300-111587 | InChI=1/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H | AC-6544 | BP-12644 | Phenol, 4-bromo-3-methyl- | 4-Bromo-

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488184720

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184720

Sorrisos canónicos

CC1=C(C=CC(=C1)O)Br

IUPAC Name

4-bromo-3-methylphenol

InChIKey

GPOQODYGMUTOQL-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

CC1=C(C=CC(=C1)O)Br

WGK Alemanha

3

Peso molecular

187.03

Beilstein

1859122

Reaxy-Rn

1859122

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859122&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Meta cresols
• Alternative Parents: P-bromophenols Toluenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halophenol - M-cresol - 4-bromophenol - Bromobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
• 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

• Solubilidade: Soluble in Methanol
• Ponto de ebulição (°C): 145°C/23mmHg
• Ponto de fusão (°C): 66.0-70.0°C
• Peso molecular: 187.030 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.968 Da
• Monoisotopic Mass: 185.968 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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