4-Bromo-2-chlorobenzaldehyde - CAS 158435-41-7
Catalog: |
BB011416 |
Product Name: |
4-Bromo-2-chlorobenzaldehyde |
CAS: |
158435-41-7 |
Synonyms: |
4-bromo-2-chlorobenzaldehyde; 4-bromo-2-chlorobenzaldehyde |
IUPAC Name: | 4-bromo-2-chlorobenzaldehyde |
Description: | 4-Bromo-2-chlorobenzaldehyde (CAS# 158435-41-7) is a useful research chemical for organic synthesis and other chemical processes.4-Bromo-2-chlorobenzaldehyde is used in preparation of Heterocyclic compounds as P2X3 antagonist and its intermediate. |
Molecular Weight: | 219.46 |
Molecular Formula: | C7H4BrClO |
Canonical SMILES: | C1=CC(=C(C=C1Br)Cl)C=O |
InChI: | InChI=1S/C7H4BrClO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H |
InChI Key: | DHGPLNJITGVCSG-UHFFFAOYSA-N |
Boiling Point: | 271.3 ℃ at 760 mmHg |
Density: | 1.698 g/cm3 |
MDL: | MFCD08741413 |
LogP: | 2.91500 |
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-113214219-A | Oseltamivir amino derivative and preparation method and application thereof | 20210506 |
WO-2021158481-A1 | Substituted 1,1'-biphenyl compounds and methods using same | 20200203 |
CN-111196785-A | Triazole derivative and preparation method and application thereof | 20200121 |
CN-111196785-B | Triazole derivative and preparation method and application thereof | 20200121 |
WO-2021147521-A1 | Triazole derivative, preparation method therefor, and use thereof | 20200121 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.91341 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.91341 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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