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

CAS: 591-20-8 Cat. No.: B106995 Formula: C₆H₅OBr Peso molecolare: 173.01 Beilstein Registry Number: 1853950 Numero 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

Sinonimi

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

Specifiche e purezza

analytical standard, for environmental analysis

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

FedEx DG Service

Grado

per l'analisi ambientale, Standard analitico

Nomi e identificatori

Pubchem Sid

528758965

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

Numero UN

2811

Peso molecolare

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
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 M-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water, soluble in ethanol, ether, and alkaline solution.
• Sensibilità: Light sensitive；Air sensitive
• Punto di congelamento (°C): 30 °C
• Indice di rifrazione: 1.595-1.599
• Punto di infiammabilità (°F): 230°F
• Punto di infiammabilità (°C): >110℃
• Punto di ebollizione (°C): 236°C
• Punto di fusione (°C): 30-32°C
• Peso molecolare: 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