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

CAS: 14472-14-1 Cat. No.: B124282 分子式: C₇H₇BrO 分子量: 187.03 Beilstein Registry Number: 1859122 EC番号: 238-464-3

グレード＆純度 ≥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

概要

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.

仕様

同義語

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-

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

488184720

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 沸点（°C）: 145°C/23mmHg
• 融点（°C）: 66.0-70.0°C
• 分子量: 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