4-Bromophenetole - ≥98% , CAS No.588-96-5

CAS: 588-96-5 Cat. No.: B113334 分子式: C₈H₉OBr 分子量: 201.06 Beilstein Registry Number: 6199 EC番号: 209-629-7

グレード＆純度 ≥98%

Synonyms

p-Bromoethoxybenzene | EINECS 209-629-7 | InChI=1/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H | AM20060683 | phenetyl bromide | 1-ethoxy-4-bromobenzene | 4-bromo phenetol | 4-ETHOXYPHENYL BROMIDE | p-bromophenetol | 4-Bromophenyl ethyl ether | SCHEMBL183

Storage

Room temperature

Shipped In

Normal

仕様

同義語

p-Bromoethoxybenzene | EINECS 209-629-7 | InChI=1/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H | AM20060683 | phenetyl bromide | 1-ethoxy-4-bromobenzene | 4-bromo phenetol | 4-ETHOXYPHENYL BROMIDE | p-bromophenetol | 4-Bromophenyl ethyl ether | SCHEMBL183

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488184166

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184166

カノニカル・スマイル

CCOC1=CC=C(C=C1)Br

IUPAC Name

1-bromo-4-ethoxybenzene

InChIKey

WVUYYXUATWMVIT-UHFFFAOYSA-N

INCHI

1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

異性体SMILES

CCOC1=CC=C(C=C1)Br

WGKドイツ

3

分子量

201.06

Beilstein

6199

Reaxy-Rn

2042066

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042066&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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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作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.551
• 引火点（°F）: 217.4 °F
• 引火点（°C）: 103 °C
• 沸点（°C）: 233°C
• 融点（°C）: 4°C
• 分子量: 201.060 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.984 Da
• Monoisotopic Mass: 199.984 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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