2,6-Dichlorobenzyl bromide - CAS 20443-98-5
Catalog: |
BB015933 |
Product Name: |
2,6-Dichlorobenzyl bromide |
CAS: |
20443-98-5 |
Synonyms: |
2-(bromomethyl)-1,3-dichlorobenzene |
IUPAC Name: | 2-(bromomethyl)-1,3-dichlorobenzene |
Description: | 2,6-Dichlorobenzyl bromide (CAS# 20443-98-5) is used in the preparation of potent epoxide hydrolase inhibitors. Has shown thus far to relieve hypotension in lipopolysaccharide deficient murine models. As well they have been used in the synthesis of anti-HIV drugs based on diaryltriazine (DATA) analogues. |
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: | 260.9 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.679 g/cm3 |
Appearance: | White solid |
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 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Halides
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS