4-Bromo-3-chlorobenzaldehyde - CAS 120077-69-2
Catalog: |
BB004708 |
Product Name: |
4-Bromo-3-chlorobenzaldehyde |
CAS: |
120077-69-2 |
Synonyms: |
4-bromo-3-chlorobenzaldehyde; 4-bromo-3-chlorobenzaldehyde |
IUPAC Name: | 4-bromo-3-chlorobenzaldehyde |
Description: | 4-Bromo-3-chlorobenzaldehyde (CAS# 120077-69-2) is a useful research chemical. |
Molecular Weight: | 219.46 |
Molecular Formula: | C7H4BrClO |
Canonical SMILES: | C1=CC(=C(C=C1C=O)Cl)Br |
InChI: | InChI=1S/C7H4BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H |
InChI Key: | LDYVDYZLCRUOTM-UHFFFAOYSA-N |
Boiling Point: | 281.255 ℃ at 760 mmHg |
Density: | 1.698 g/cm3 |
Storage: | Inert atmosphere, 2-8 ℃ |
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-2021143923-A1 | Boronic acid derivatives | 20200119 |
WO-2021129584-A1 | Pd-l1 antagonist compound | 20191226 |
WO-2021078132-A1 | Inhibitors of mtor-mediated induction of autophagy | 20191021 |
WO-2019177996-A1 | Bicyclic ror-gamma modulators | 20180312 |
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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