2,6-Dichlorobenzyl bromide - CAS 20443-98-5
Catalog: |
BB015933 |
Product Name: |
2,6-Dichlorobenzyl bromide |
CAS: |
20443-98-5 |
Synonyms: |
Vilanterol Impurity-7 (VLT 2,6 Dichlorobenzyl Bromide); Toluene, α-bromo-2,6-dichloro-; 1-Bromomethyl-2,6-dichlorobenzene; 2,6-Dichloro-α-bromotoluene; NSC 93898; α-Bromo-2,6-dichlorotoluene |
IUPAC Name: | 2-(bromomethyl)-1,3-dichlorobenzene |
Description: | An impurity of Vilanterol. Vilanterol is a long-acting β2-adrenergic receptor agonist (LABA) used in the treatment of chronic obstructive pulmonary disease (COPD) and asthma. |
Molecular Weight: | 239.92 |
Molecular Formula: | C7H5BrCl2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)CBr)Cl |
InChI: | InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2 |
InChI Key: | PDFGFQUSSYSWNI-UHFFFAOYSA-N |
Boiling Point: | 118 °C at 2 Torr |
Melting Point: | 45-46 °C |
Purity: | ≥95% |
Density: | 1.680±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | Colorless to white crystal or crystalline powder |
Storage: | Store at RT, under inert atmosphere |
MDL: | MFCD00000577 |
LogP: | 3.88830 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112608320-A | Piperidine compound and preparation method and medical application thereof | 20200116 |
WO-2021143792-A1 | Piperidine compound, preparation method therefor and medical use thereof | 20200116 |
CN-112759541-A | Indole-like derivatives and uses thereof | 20191021 |
US-2021094973-A1 | Heterocyclic compounds | 20190924 |
WO-2021058445-A1 | New heterocyclic monoacylglycerol lipase (magl) inhibitors | 20190924 |
PMID | Publication Date | Title | Journal |
22613125 | 20120901 | α-Bromo-2,6-dichlorotoluene: molecular structure, vibrational spectroscopy, natural bond orbital analysis and NMR studies | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 97.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.89517 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.89517 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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