4-Fluorocinnamic acid - CAS 459-32-5
Catalog: |
BB026023 |
Product Name: |
4-Fluorocinnamic acid |
CAS: |
459-32-5 |
Synonyms: |
(E)-3-(4-fluorophenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(4-fluorophenyl)prop-2-enoic acid |
Description: | 4-Fluorocinnamic acid (CAS# 459-32-5) is a useful research chemical. |
Molecular Weight: | 166.15 |
Molecular Formula: | C9H7FO2 |
Canonical SMILES: | C1=CC(=CC=C1C=CC(=O)O)F |
InChI: | InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+ |
InChI Key: | ISMMYAZSUSYVQG-ZZXKWVIFSA-N |
Boiling Point: | 281.6 °C at 760 mmHg |
Melting Point: | 207-210 °C |
Density: | 1.285 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004395 |
LogP: | 1.92350 |
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-113416199-A | Lycorine beta-aryl acrylate derivative and preparation method and application thereof | 20210720 |
CN-112876365-A | Methyl rupestonic acid derivative containing cinnamoyl and preparation method and application thereof | 20210220 |
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CN-112608275-A | Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases | 20201229 |
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PMID | Publication Date | Title | Journal |
21728015 | 20120201 | Biodegradation kinetics of 4-fluorocinnamic acid by a consortium of Arthrobacter and Ralstonia strains | Biodegradation |
17806099 | 20071001 | Precursor-directed biosynthesis of stilbene methyl ethers in Escherichia coli | Biotechnology journal |
15125954 | 20040607 | Structure-activity relationships of trans-cinnamic acid derivatives on alpha-glucosidase inhibition | Bioorganic & medicinal chemistry letters |
11693292 | 20010101 | Aerobic biotransformation of 4-fluorocinnamic acid to 4-fluorobenzoic acid | Biodegradation |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 166.04300762 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.04300762 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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