3-Bromophenethyl bromide - ≥97% , CAS No.40422-70-6

CAS: 40422-70-6 Cat. No.: B170179 Summenformel: C₈H₈Br₂ Molekulargewicht: 263.96 EG-Nummer: 627-606-3

GRADE & PURITY ≥97%

Synonyms

A873346 | 3-Bromophenethyl bromide | SCHEMBL705920 | 3-Bromophenethyl bromide, 97% | AC-25646 | EN300-675183 | 1-Bromo-3-(2-bromoethyl)benzene | 1-bromo-3-(2-bromo-ethyl)-benzene | 3-(2-bromo-ethyl)-1-bromo-benzene | Benzene, 1-bromo-3-(2-bromoethyl)- | Z

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

A873346 | 3-Bromophenethyl bromide | SCHEMBL705920 | 3-Bromophenethyl bromide, 97% | AC-25646 | EN300-675183 | 1-Bromo-3-(2-bromoethyl)benzene | 1-bromo-3-(2-bromo-ethyl)-benzene | 3-(2-bromo-ethyl)-1-bromo-benzene | Benzene, 1-bromo-3-(2-bromoethyl)- | Z

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=CC(=C1)Br)CCBr
• IUPAC Name: 1-bromo-3-(2-bromoethyl)benzene
• InChIKey: ZDWCLHJHUMKCQS-UHFFFAOYSA-N
• INCHI: 1S/C8H8Br2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
• Isomere SMILES: C1=CC(=CC(=C1)Br)CCBr
• WGK Deutschland: 2
• Molekulargewicht: 263.96
• Reaxy-Rn: 2079718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 77-78 °C/0.1 mmHg
• Molekulargewicht: 263.960 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 263.897 Da
• Monoisotopic Mass: 261.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.300
• 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