(1-Bromoethyl)benzene
Product Information
Molecular Formula
C8H9Br
Molecular Weight
185.06
Description
(1-Bromoethyl)benzene (CAS# 585-71-7) is commonly used in the synthesis of diaryl thioethers and aryl benzyl thioethers.
Synonyms
1-bromoethylbenzene
IUPAC Name
1-bromoethylbenzene
SMILES
CC(C1=CC=CC=C1)Br
InChI
InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key
CRRUGYDDEMGVDY-UHFFFAOYSA-N
Boiling Point
200 °C
Melting Point
-65 °C
Flash Point
96 °C
Purity
> 95.0 % (GC)
Density
1.356 g/cm3
Solubility
SOL IN ALC & ETHER /DL & D FORMS/
Appearance
Clear yellow to brownish liquid
Application
The undesired alpha isomer formed in the production of the useful intermediate 1-Bromo-2-phenylethane.
Storage
0-10 °C
Refractive Index
1.56
LogP
3.14250
Safety Information
Hazards
H315 H319
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
2.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
183.98876 g/mol
Monoisotopic Mass
183.98876 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
74.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114163374-A | Dendritic macromolecule and preparation method and application thereof | 2021-12-17 |
| CN-114014842-A | Heterocyclic ketone compound and composition thereof as well as preparation method and application thereof | 2021-11-04 |
| CN-113929627-A | Synthetic method of bindarit | 2021-10-19 |
| CN-113831366-A | Cinchona alkaloid ligand and preparation method and application thereof | 2021-08-18 |
| JP-2021152084-A | Pest control method | 2021-07-02 |
| CN-113402515-A | Indole compound and preparation method and application thereof | 2021-05-12 |
| CN-113004161-A | Preparation method of (2R,3R) -3-methyl-3-phenylalanine | 2021-03-23 |
| CN-113066947-A | Preparation method of perovskite thin film and perovskite LED | 2021-03-16 |
| CN-112645971-A | Method for directly preparing alkyl borate compound from alkyl halide | 2021-01-20 |
| CN-112645971-B | Method for directly preparing alkyl borate compound from alkyl halide | 2021-01-20 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22548454 | 2012-06-20 | N,N-addition of frustrated Lewis pairs to nitric oxide: an easy entry to a unique family of aminoxyl radicals | Journal of the American Chemical Society |
| 22199846 | 2011-12-01 | 3-({[(1-Phenyl-eth-yl)sulfan-yl]methane-thio-yl}sulfan-yl)propanoic acid | Acta crystallographica. Section E, Structure reports online |
| 21764419 | 2011-10-01 | TG-MS investigation of brominated products from the degradation of brominated flame retardants in high-impact polystyrene | Chemosphere |
| 17910257 | 2007-09-01 | Pyrolysis of waste electrical and electronic equipment: effect of antinomy trioxide on the pyrolysis of styrenic polymers | Environmental technology |
| 15521744 | 2004-11-10 | Identification and characterization of monoanionic tripodal tetradentate ligand complexes of copper(I) and copper(II) involved in halogen atom transfer reactions | Journal of the American Chemical Society |
| 14961649 | 2004-02-20 | Absolute rate constants for reactions of tributylstannyl radicals with bromoalkanes, episulfides, and alpha-halomethyl-episulfides, -cyclopropanes, and -oxiranes: new rate expressions for sulfur and bromine atom abstraction | The Journal of organic chemistry |
