3-Chloro-5-fluorosalicylaldehyde - CAS 82128-69-6
Catalog: |
BB036762 |
Product Name: |
3-Chloro-5-fluorosalicylaldehyde |
CAS: |
82128-69-6 |
Synonyms: |
Benzaldehyde, 3-chloro-5-fluoro-2-hydroxy-; 5-Fluoro-2-hydroxy-3-chlorobenzaldehyde |
IUPAC Name: | 3-chloro-5-fluoro-2-hydroxybenzaldehyde |
Molecular Weight: | 174.56 |
Molecular Formula: | C7H4ClFO2 |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)O)C=O)F |
InChI: | InChI=1S/C7H4ClFO2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-3,11H |
InChI Key: | VHXIEGGPMOEWNK-UHFFFAOYSA-N |
Boiling Point: | 210.5±35.0°C at 760 mmHg |
Melting Point: | 95-99°C |
Purity: | ≥95% |
Density: | 1.508±0.06 g/cm3 |
Appearance: | Pale Lemon Powder |
MDL: | MFCD04039291 |
LogP: | 1.99720 |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111116608-A | N-benzyl aniline derivatives with free radical scavenging effect and pharmaceutical application thereof | 20200110 |
BR-102016024810-A2 | Curcumin application as biodiesel stabilizer | 20161024 |
US-10689400-B2 | Macrocycle kinase inhibitors | 20160728 |
US-2019169208-A1 | Macrocycle kinase inhibitors | 20160728 |
WO-2018022911-A1 | Macrocycle kinase inhibitors | 20160728 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.9883852 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.9883852 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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