4-Bromophenetole - CAS 588-96-5
Catalog: |
BB030196 |
Product Name: |
4-Bromophenetole |
CAS: |
588-96-5 |
Synonyms: |
1-bromo-4-ethoxybenzene |
IUPAC Name: | 1-bromo-4-ethoxybenzene |
Description: | 4-Bromophenetole (CAS# 588-96-5) is a non-irritant used to verify ocular irritability tests. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | CCOC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3 |
InChI Key: | WVUYYXUATWMVIT-UHFFFAOYSA-N |
Boiling Point: | 233 ℃ |
Melting Point: | 4 ℃ |
Purity: | 98 % |
Density: | 1.407 g/cm3 |
Appearance: | Clear colourless to yellowish liquid |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000098 |
LogP: | 2.84780 |
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 |
Publication Number | Title | Priority Date |
CN-111825715-A | Synthesis method of triphenylphosphine derivative tri- (R-phenyl) phosphine | 20200716 |
CN-111348990-A | Preparation method of p-bromophenyl alkyl ether | 20200415 |
WO-2021092893-A1 | Use of diaryl ether compound in preparation of anti-tumor drug | 20191115 |
CN-110627823-A | Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation | 20191017 |
CN-110627823-B | Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation | 20191017 |
PMID | Publication Date | Title | Journal |
15267244 | 20040729 | Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase | Journal of medicinal chemistry |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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