3-bromo-4-chloroanisole - CAS 2732-80-1
Catalog: |
BB019532 |
Product Name: |
3-bromo-4-chloroanisole |
CAS: |
2732-80-1 |
Synonyms: |
2-bromo-1-chloro-4-methoxybenzene; 2-bromo-1-chloro-4-methoxybenzene |
IUPAC Name: | 2-bromo-1-chloro-4-methoxybenzene |
Description: | 3-bromo-4-chloroanisole (CAS# 2732-80-1) is a useful synthetic intermediate. It can be used in the synthesis of N-heterocycle-fused phenanthridines as blue-emitting luminophores. It can also be used to prepare indoles (Indole, I577320) by a Pd-Catalyzed CAScade process. |
Molecular Weight: | 221.48 |
Molecular Formula: | C7H6BrClO |
Canonical SMILES: | COC1=CC(=C(C=C1)Cl)Br |
InChI: | InChI=1S/C7H6BrClO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3 |
InChI Key: | SQHMXVXKKCXIGN-UHFFFAOYSA-N |
Boiling Point: | 231.9 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.564 g/cm3 |
MDL: | MFCD00070739 |
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-2021195346-A1 | Lipoxygenase inhibitors | 20200325 |
WO-2021071806-A1 | Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
CN-109180578-A | A kind of preparation method of bosutinib | 20181019 |
EP-3641776-A1 | Atropisomerism for enhanced kinase inhibitor selectivity | 20170623 |
WO-2018237134-A1 | ATROPISOMERISM FOR ENHANCED SELECTIVITY OF KINASE INHIBITORS | 20170623 |
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: | 3.2 |
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