2-Bromophenol - analytical standard, ≥99.5%(HPLC) , CAS No.95-56-7

CAS: 95-56-7 Cat. No.: B109689 Fórmula: C₆H₅OBr Peso molecular: 173.01 Beilstein Registry Number: 1905115 Número EC: 202-432-7

CALIDAD & PUREZA Analytical standard, ≥99.5%(HPLC)

Synonyms

A845333 | DTXSID8052641 | o-Bromophenol | o-bromo-phenol | UNII-A0UB206YF0 | BROMOPHENOL | bromo-phenol | PS-5410 | WLN: QR BE | 2BR | InChI=1/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8 | O-BROMOPHENOL [MI] | AC-10760 | EINECS 202-432-7 | DTXCID5031214 | SCHEMBL49

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

Usually used in the preparation of anti-benzofurobenzofuran diimides. And also used to study the photodegradation of 2-bromophenol using UV-Vis spectroscopy and HPLC.

Especificaciones

Sinónimos

A845333 | DTXSID8052641 | o-Bromophenol | o-bromo-phenol | UNII-A0UB206YF0 | BROMOPHENOL | bromo-phenol | PS-5410 | WLN: QR BE | 2BR | InChI=1/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8 | O-BROMOPHENOL [MI] | AC-10760 | EINECS 202-432-7 | DTXCID5031214 | SCHEMBL49

Especificaciones y pureza

analytical standard, ≥99.5%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

FedEx DG Service

Grado

Patrón analítico

Pureza

≥99.5%(HPLC)

Nombres e identificadores

Pubchem Sid

528757248

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757248

Sonrisas canónicas

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

IUPAC Name

2-bromophenol

InChIKey

VADKRMSMGWJZCF-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

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

WGK Alemania

3

RTECS

SJ7875000

Número ONU

1993

Peso molecular

173.01

Beilstein

1905115

Reaxy-Rn

1905115

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905115&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: O-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: 2-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 o-bromophenols. These are bromophenols carrying a iodine at the C2 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

Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

Explore this target

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

L1210 (27553 Activities)

Explore this target

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

norA Quinolone resistance protein norA (2171 Activities)

Discover Target: norA

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive.
• Índice de refracción: 1.588-1.59
• Punto de inflamación (°F): 107.6 °F
• Punto de inflamación (°C): 42℃
• Punto de ebullición (°C): 195°C
• Punto de fusión (°C): 5°C
• Peso molecular: 173.010 g/mol
• XLogP3: 2.400
• 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