3-(3-Fluorophenyl)propionic acid - CAS 458-45-7
Catalog: |
BB025992 |
Product Name: |
3-(3-Fluorophenyl)propionic acid |
CAS: |
458-45-7 |
Synonyms: |
3-(3-fluorophenyl)propanoic acid |
IUPAC Name: | 3-(3-fluorophenyl)propanoic acid |
Description: | 3-(3-Fluorophenyl)propionic acid (CAS# 458-45-7) is a useful research chemical. |
Molecular Weight: | 168.16 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | C1=CC(=CC(=C1)F)CCC(=O)O |
InChI: | InChI=1S/C9H9FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12) |
InChI Key: | UBLMRADOKLXLCD-UHFFFAOYSA-N |
Boiling Point: | 125 °C (10.5 mmHg) |
Purity: | > 97.0 % (GC) (T) |
Density: | 1.222 g/cm3 |
Appearance: | White to light yellow powder, crystals or crystalline powder and/or chunks |
MDL: | MFCD01310821 |
LogP: | 1.84290 |
GHS Hazard Statement: | H302 (84.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111217694-A | method for selectively reducing carbon-carbon double bond in α, beta-unsaturated carbonyl compound | 20200212 |
CN-111777477-A | Method for synthesizing succinic acid derivative or 3-aryl propionic acid | 20191025 |
CN-111777477-B | Method for synthesizing succinic acid derivative or 3-aryl propionic acid | 20191025 |
WO-2020210922-A1 | Derivatives of adamantyl oxadiazoles and pharmaceutically acceptable solvates, hydrates and salts thereof, pharmaceutical composition comprising same, synthesis method, suitable for use as effective and selective inhibitors of the reductase activity of the enzyme 11-beta dehydrogenase type 1 (11β-hsd1) | 20190417 |
WO-2020155595-A1 | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor | 20190201 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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