2-Chloro-4-fluorobenzaldehyde - CAS 84194-36-5
Catalog: |
BB037146 |
Product Name: |
2-Chloro-4-fluorobenzaldehyde |
CAS: |
84194-36-5 |
Synonyms: |
2-chloro-4-fluorobenzaldehyde |
IUPAC Name: | 2-chloro-4-fluorobenzaldehyde |
Description: | 2-Chloro-4-fluorobenzaldehyde (CAS# 84194-36-5) is a reactant in the regio- and stereoselective preparation of spiro[pyrrolidinoxindoles]. |
Molecular Weight: | 158.56 |
Molecular Formula: | C7H4ClFO |
Canonical SMILES: | C1=CC(=C(C=C1F)Cl)C=O |
InChI: | InChI=1S/C7H4ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H |
InChI Key: | KMQWNQKESAHDKD-UHFFFAOYSA-N |
Boiling Point: | 118-120 °C (50 mmHg) |
Melting Point: | 59-62 °C |
Purity: | 95 % |
Density: | 1.352 g/cm3 |
Appearance: | White to slightly yellow crystalline |
Storage: | Refrigerator |
MDL: | MFCD00042527 |
LogP: | 2.29160 |
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-2021121363-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections | 20191220 |
WO-2021031997-A1 | Dihydropyrimidine derivative and use thereof | 20190816 |
WO-2021018239-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20190731 |
US-2020385377-A1 | Hepatitis b antiviral agents | 20190604 |
US-2020385391-A1 | Hepatitis b antiviral agents | 20190604 |
PMID | Publication Date | Title | Journal |
21578504 | 20091031 | Trimethyl 5-(2-chloro-4-fluoro-phen-yl)-2-phenyl-pyrrolidine-2,3,4-tricarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.9934706 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.9934706 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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