2-Bromo-4-methoxyphenol - ≥98%(T) , CAS No.17332-11-5

CAS: 17332-11-5 Cat. No.: B152684 Peso molecular: 203.04 Beilstein Registry Number: 6(4)5780 Número EC: 605-671-9

GRADE & PURITY ≥98%(T)

Synonyms

2-Bromo-4-methoxyphenol|17332-11-5|2-Bromo-4-methoxybenzenol|Phenol, 2-bromo-4-methoxy-|3-Bromo-4-hydroxyanisole|2-Bromo-4-methoxy-phenol|MFCD02113712|5-Bromo-2-methoxyphenol;4-Bromo-2-hydroxyanisole|NSC168509|2-bromo4methoxyphenol|2-bromo-4methoxyphenol|

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Bromo-4-methoxyphenol | 17332-11-5 | 2-Bromo-4-methoxybenzenol | Phenol, 2-bromo-4-methoxy- | 3-Bromo-4-hydroxyanisole | 2-Bromo-4-methoxy-phenol | MFCD02113712 | 5-Bromo-2-methoxyphenol;4-Bromo-2-hydroxyanisole | NSC168509 | 2-bromo4methoxyphenol | 2-bromo-4methoxyphenol |

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=C(C=C1)O)Br
• IUPAC Name: 2-bromo-4-methoxyphenol
• InChIKey: LTMSUXSPKZRMAB-UHFFFAOYSA-N
• INCHI: 1S/C7H7BrO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
• Isómeros SMILES: COC1=CC(=C(C=C1)O)Br
• Peso molecular: 203.04
• Beilstein: 6(4)5780
• Reaxy-Rn: 1862744
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862744&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: 4-alkoxyphenols Phenoxy compounds O-bromophenols Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - 4-alkoxyphenol - Anisole - 2-halophenol - Phenoxy compound - 2-bromophenol - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

• Punto de ebullición (°C): 115°C
• Punto de fusión (°C): 43 °C
• Peso molecular: 203.030 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.963 Da
• Monoisotopic Mass: 201.963 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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