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

CAS: 588-96-5 Cat. No.: B113334 Formule: C₈H₉OBr Poids moléculaire: 201.06 Beilstein Registry Number: 6199 Numéro CE: 209-629-7

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488184166

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCOC1=CC=C(C=C1)Br

WGK Allemagne

3

Poids moléculaire

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
    • Classe Phenol ethers

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

Cibles associées (humaines)

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Discover Target: ALOX15

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Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.551
• Point d'éclair (°F): 217.4 °F
• Point d'éclair (°C): 103 °C
• Point d'ébullition (°C): 233°C
• Point de fusion (°C): 4°C
• Poids moléculaire: 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