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

CAS: 95-56-7 Cat. No.: B109689 분자식: C₆H₅OBr 분자량: 173.01 Beilstein Registry Number: 1905115 EC 번호: 202-432-7

등급 & 순도 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

개요

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.

사양

동의어

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

사양 및 순도

analytical standard, ≥99.5%(HPLC)

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

등급

분석 표준물질

순수함

≥99.5%(HPLC)

이름과 식별자

Pubchem Sid

528757248

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

RTECS

SJ7875000

UN 번호

1993

분자량

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
    • 분류 Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 O-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Air Sensitive.
• 굴절률: 1.588-1.59
• 발화점(°F): 107.6 °F
• 발화점(°C): 42℃
• 끓는점(°C): 195°C
• 녹는점(°C): 5°C
• 분자량: 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