3-Bromophenol - analytical standard, for environmental analysis , CAS No.591-20-8

CAS: 591-20-8 Cat. No.: B106995 Fórmula: C₆H₅OBr Peso molecular: 173.01 Beilstein Registry Number: 1853950 Número EC: 209-706-5

GRADE & PURITY Analytical standard, for Environmental analysis

Synonyms

3-BROMOPHENOL|591-20-8|m-Bromophenol|Phenol, 3-bromo-|3-Bromo-phenol|Phenol, m-bromo-|3-bromo phenol|MFCD00002253|CHEMBL185651|VMU0X6956Y|UNII-VMU0X6956Y|meta bromophenol|meta-bromophenol|3-bromanylphenol|HSDB 7649|meta-bromo-phenol|B3R|EINECS 209-706-5|3

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

3-BROMOPHENOL | 591-20-8 | m-Bromophenol | Phenol, 3-bromo- | 3-Bromo-phenol | Phenol, m-bromo- | 3-bromo phenol | MFCD00002253 | CHEMBL185651 | VMU0X6956Y | UNII-VMU0X6956Y | meta bromophenol | meta-bromophenol | 3-bromanylphenol | HSDB 7649 | meta-bromo-phenol | B3R | EINECS 209-706-5 | 3

Especificaciones y pureza

analytical standard, for environmental analysis

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

FedEx DG Service

Grado

para el análisis medioambiental, Patrón analítico

Nombres e identificadores

Pubchem Sid

528758965

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758965

Sonrisas canónicas

C1=CC(=CC(=C1)Br)O

IUPAC Name

3-bromophenol

InChIKey

MNOJRWOWILAHAV-UHFFFAOYSA-N

INCHI

1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H

Isómeros SMILES

C1=CC(=CC(=C1)Br)O

WGK Alemania

3

Número ONU

2811

Peso molecular

173.01

Beilstein

1853950

Reaxy-Rn

1853950

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1853950&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 M-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: M-bromophenols
• Alternative Parents: Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-bromophenols. These are bromophenols carrying a iodine at the C3 position of the benzene ring.
• 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

Objetivos asociados (humanos)

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in ethanol, ether, and alkaline solution.
• Sensibilidad: Light sensitive；Air sensitive
• Punto de congelación (°C): 30 °C
• Índice de refracción: 1.595-1.599
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 236°C
• Punto de fusión (°C): 30-32°C
• Peso molecular: 173.010 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 171.952 Da
• Monoisotopic Mass: 171.952 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• 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