(1-Bromoethyl)benzene - CAS 585-71-7
Catalog: |
BB030086 |
Product Name: |
(1-Bromoethyl)benzene |
CAS: |
585-71-7 |
Synonyms: |
1-bromoethylbenzene |
Application: |
The undesired alpha isomer formed in the production of the useful intermediate 1-Bromo-2-phenylethane. |
IUPAC Name: | 1-bromoethylbenzene |
Description: | (1-Bromoethyl)benzene (CAS# 585-71-7) is commonly used in the synthesis of diaryl thioethers and aryl benzyl thioethers. |
Molecular Weight: | 185.06 |
Molecular Formula: | C8H9Br |
Canonical 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 |
Storage: | 0-10 °C |
MDL: | MFCD00000139 |
LogP: | 3.14250 |
Refractive Index: | 1.56 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
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PMID | Publication Date | Title | Journal |
22548454 | 20120620 | 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 | 20111201 | 3-({[(1-Phenyl-eth-yl)sulfan-yl]methane-thio-yl}sulfan-yl)propanoic acid | Acta crystallographica. Section E, Structure reports online |
21764419 | 20111001 | TG-MS investigation of brominated products from the degradation of brominated flame retardants in high-impact polystyrene | Chemosphere |
17910257 | 20070901 | Pyrolysis of waste electrical and electronic equipment: effect of antinomy trioxide on the pyrolysis of styrenic polymers | Environmental technology |
15614379 | 20050107 | One-step synthesis of alkoxyamines for nitroxide-mediated radical polymerization | Chemical communications (Cambridge, England) |
Complexity: | 74.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.98876 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.98876 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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