4-bromo-3-chloroanisole - CAS 50638-46-5
Catalog: |
BB027160 |
Product Name: |
4-bromo-3-chloroanisole |
CAS: |
50638-46-5 |
Synonyms: |
1-bromo-2-chloro-4-methoxybenzene; 1-bromo-2-chloro-4-methoxybenzene |
IUPAC Name: | 1-bromo-2-chloro-4-methoxybenzene |
Description: | 4-bromo-3-chloroanisole (CAS# 50638-46-5) is a useful research chemical. |
Molecular Weight: | 221.48 |
Molecular Formula: | C7H6BrClO |
Canonical SMILES: | COC1=CC(=C(C=C1)Br)Cl |
InChI: | InChI=1S/C7H6BrClO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3 |
InChI Key: | SUFFQYRWSRMBQC-UHFFFAOYSA-N |
Boiling Point: | 129-132 °C |
Purity: | 98 % |
Density: | 1.564 g/cm3 |
MDL: | MFCD00070742 |
LogP: | 3.11110 |
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 |
WO-2021138315-A1 | Compounds and compositions for treating cns disorders | 20200103 |
WO-2021127397-A1 | Nitrogen heterocyclic compounds and methods of use | 20191219 |
WO-2021106230-A1 | Novel phenol compound or salt thereof | 20191129 |
US-2021115065-A1 | Compounds and compositions for the treatment of parasitic diseases | 20191021 |
WO-2021078120-A1 | Compounds and compositions for the treatment of parasitic diseases | 20191021 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.92906 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.92906 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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