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

CAS: 95-56-7 Cat. No.: B109689 Summenformel: C₆H₅OBr Molekulargewicht: 173.01 Beilstein Registry Number: 1905115 EG-Nummer: 202-432-7

QUALITÄT & REINHEIT 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

Übersicht

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.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

analytical standard, ≥99.5%(HPLC)

Storage

Room temperature,Argon charged

Verschickt in

FedEx DG Service

Note

Analytischer Standard

Reinheit

≥99.5%(HPLC)

Namen und Kennungen

Pubchem Sid

528757248

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

RTECS

SJ7875000

UN-Nummer

1993

Molekulargewicht

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
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Bromophenols
          • Ebene6 O-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive.
• Brechungsindex: 1.588-1.59
• Flammpunkt (°F): 107.6 °F
• Flammpunkt (°C): 42℃
• Siedepunkt (°C): 195°C
• Schmelzpunkt (°C): 5°C
• Molekulargewicht: 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