4-Fluorocinnamoyl chloride - CAS 13565-08-7
Catalog: |
BB008232 |
Product Name: |
4-Fluorocinnamoyl chloride |
CAS: |
13565-08-7 |
Synonyms: |
(E)-3-(4-fluorophenyl)prop-2-enoyl chloride |
IUPAC Name: | (E)-3-(4-fluorophenyl)prop-2-enoyl chloride |
Description: | 4-Fluorocinnamoyl chloride (CAS# 13565-08-7) is a useful research chemical. |
Molecular Weight: | 184.59 |
Molecular Formula: | C9H6ClFO |
Canonical SMILES: | C1=CC(=CC=C1C=CC(=O)Cl)F |
InChI: | InChI=1S/C9H6ClFO/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6H/b6-3+ |
InChI Key: | GLBIKPKWQDIQCJ-ZZXKWVIFSA-N |
Boiling Point: | 90 °C0.1 mmHg (lit.) |
Melting Point: | 42-46 °C (lit.) |
Purity: | 95 % |
Density: | 1.289 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD03424740 |
LogP: | 2.60430 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110776410-A | Triketone compound containing cinnamoyl, preparation method and application thereof | 20191128 |
CN-110776410-B | Triketone compound containing cinnamoyl, preparation method and application thereof | 20191128 |
WO-2020233669-A1 | Indole derivative-containing inhibitor, preparation method therefor and application thereof | 20190522 |
US-2017240503-A1 | N-((3,4,5-trimethoxystyryl)aryl)cinnamamide compounds as potential anticancer agents and process for the preparation thereof | 20140820 |
US-9878977-B2 | N-((3,4,5-trimethoxystyryl)aryl)cinnamamide compounds as potential anticancer agents and process for the preparation thereof | 20140820 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 184.0091207 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0091207 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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