4-Bromophenethyl bromide - ≥96% , CAS No.1746-28-7

CAS: 1746-28-7 Cat. No.: B167924 Molecular Weight: 263.96 EC Number: 628-730-0

GRADE & PURITY ≥96%

Synonyms

DTXSID30451829 | SCHEMBL1520915 | APTDRDYSJZQPPI-UHFFFAOYSA-N | 1-Bromo-4-(2-bromoethyl)benzene | 1-bromo-4-(2-bromo-ethyl)-benzene | A811677 | FT-0633818 | BS-15589 | AKOS012019545 | MFCD00045052 | 4-Bromophenethyl bromide | Benzene, 1-bromo-4-(2-bromoet

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID30451829 | SCHEMBL1520915 | APTDRDYSJZQPPI-UHFFFAOYSA-N | 1-Bromo-4-(2-bromoethyl)benzene | 1-bromo-4-(2-bromo-ethyl)-benzene | A811677 | FT-0633818 | BS-15589 | AKOS012019545 | MFCD00045052 | 4-Bromophenethyl bromide | Benzene, 1-bromo-4-(2-bromoet

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488197054
• Canonical Smiles: C1=CC(=CC=C1CCBr)Br
• IUPAC Name: 1-bromo-4-(2-bromoethyl)benzene
• InChIKey: APTDRDYSJZQPPI-UHFFFAOYSA-N
• INCHI: 1S/C8H8Br2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
• Isomeric SMILES: C1=CC(=CC=C1CCBr)Br
• WGK Germany: 2
• UN Number: 3082
• Packing Group: III
• Molecular Weight: 263.96
• Reaxy-Rn: 2042071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042071&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Flash Point(°C): 110°C
• Boil Point(°C): 97-98.5 °C/1 mmHg (lit.)
• Molecular Weight: 263.960 g/mol
• XLogP3: 3.800
• 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: 85.300
• 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

References

1. Ke Lu, Chaoran Liu, Gaofeng Wang, Weihuang Yang, Kai Fan, Serguei Lazarouk, Vladimir Labunov, Linxi Dong, Dujuan Li, Xun Yang.  (2022)  A highly sensitive silicon nanowire array sensor for joint detection of tumor markers CEA and AFP.  Biomaterials Science,  10  (14): (3823-3830).  [PMID:35674184] [10.1039/D2BM00555G]

2. Xue Xue Liang, Xiao-Kun Ouyang, Songyan Wang, Li-Ye Yang, Fangfang Huang, Chao Ji, Xiaohong Chen.  (2019)  Efficient adsorption of Pb(II) from aqueous solutions using aminopropyltriethoxysilane-modified magnetic attapulgite@chitosan (APTS-Fe3O4/APT@CS) composite hydrogel beads.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:31284012] [10.1016/j.ijbiomac.2019.06.244]