4-Bromophenethyl alcohol - CAS 4654-39-1
Catalog: |
BB026152 |
Product Name: |
4-Bromophenethyl alcohol |
CAS: |
4654-39-1 |
Synonyms: |
2-(4-bromophenyl)ethanol |
IUPAC Name: | 2-(4-bromophenyl)ethanol |
Description: | 4-Bromophenethyl alcohol (CAS# 4654-39-1) is a useful research chemical. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | C1=CC(=CC=C1CCO)Br |
InChI: | InChI=1S/C8H9BrO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2 |
InChI Key: | PMOSJSPFNDUAFY-UHFFFAOYSA-N |
Boiling Point: | 96-99 °C (0.5 mmHg) |
Melting Point: | 36-38 °C (lit.) |
Purity: | 95 % |
Density: | 1.436 g/cm3 |
Appearance: | Clear slightly yellow liquid. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002897 |
LogP: | 1.98390 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292534-A | Preparation method of bilastine key intermediate | 20210527 |
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PMID | Publication Date | Title | Journal |
20544255 | 20101101 | Didymosphaeria igniaria: a new microorganism useful for the enantioselective reduction of aryl-aliphatic ketones | Journal of industrial microbiology & biotechnology |
18221748 | 20080222 | Synthesis and application of mono-6-(3-methylimidazolium)-6-deoxyperphenylcarbamoyl-beta-cyclodextrin chloride as chiral stationary phases for high-performance liquid chromatography and supercritical fluid chromatography | Journal of chromatography. A |
17547451 | 20070628 | Chiral discrimination in host-guest supramolecular complexes. Understanding enantioselectivity and solid solution behaviors by using spectroscopic methods and chemical sensors | The journal of physical chemistry. B |
Complexity: | 87.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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