| Identification | More | [Name]
4-Fluorocinnamic acid | [CAS]
459-32-5 | [Synonyms]
(2E)-3-(4-FLUOROPHENYL)-2-PROPENOIC ACID
(2E)-3-(4-FLUOROPHENYL)ACRYLIC ACID
3-(4-FLUOROPHENYL)-2-PROPENOIC ACID
3-(4-FLUORO-PHENYL)-ACRYLIC ACID
4-FLUOROCINNAMIC ACID
AKOS 92741
AKOS BB/0035
AKOS BBS-00006474
OTAVA-BB BB0103940052
P-FLUOROCINNAMIC ACID
RARECHEM BK HC T330
TIMTEC-BB SBB005718
TRANS-4-FLUOROCINNAMIC ACID
2-Propenoic acid, 3-(4-fluorophenyl)-
TRANS-4-FLUOROCINNAMIC ACID 99%
4-Fluorocinnamic acid, 98+%
4-Fluorocinnamic acid 99%
4-Fluorocinnamicacid99%
4-FUOROCINNAMIC ACID
(E)-3-(4-Fluorophenyl)prop-2-enoic acid | [EINECS(EC#)]
207-288-9 | [Molecular Formula]
C9H7FO2 | [MDL Number]
MFCD00004395 | [Molecular Weight]
166.15 | [MOL File]
459-32-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
209-210 °C (lit.) | [Boiling point ]
290°C (rough estimate) | [density ]
1.2247 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Crystalline Solid | [pka]
4.43±0.10(Predicted) | [color ]
White to off-white | [BRN ]
2613441 | [InChI]
InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12) | [InChIKey]
ISMMYAZSUSYVQG-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C=CC1=CC=C(F)C=C1 | [CAS DataBase Reference]
459-32-5(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Fluorocinnamic acid(459-32-5) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301-H315-H319-H335 | [Precautionary statements ]
P261-P264-P270-P301+P310-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,C | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns. | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163900 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
4-Fluorocinnamic acid was used in growth medium for the Arthrobacter sp. strain G1. | [Definition]
ChEBI: 4-Fluorocinnamic acid is a member of cinnamic acids. | [General Description]
The shock loading of 4-fluorocinnamic acid (4-FCA) was treated using a rotating biological contactor (RBC). | [Synthesis]
GENERAL METHODS: Lithium tert-butanol or potassium tert-butanol (3.0 mmol), water (2.0 mL), and acrylic acid (1.2 mmol) were sequentially added to a Schlenk reaction tube under nitrogen atmosphere and stirred for 10 min at room temperature. Subsequently, p-fluoroiodobenzene (1.0 mmol) and palladium(II)-imidazole complex 1 (1.0 mol%) were added. The reaction mixture was stirred at 100 °C for 12 hours. After completion of the reaction, it was cooled to room temperature, acidified to pH 1 with 4 M hydrochloric acid and subsequently extracted with ethyl acetate. The organic layer was washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure and the residue was purified by rapid chromatography on a silica gel column to give pure p-fluorocinnamic acid. | [References]
[1] Journal of Chemical Research, 2013, vol. 37, # 5, p. 294 - 297
[2] Synlett, 2006, # 18, p. 2959 - 2964
[3] Journal of Organic Chemistry, 2004, vol. 69, # 23, p. 8105 - 8107
[4] Reactive and Functional Polymers, 2011, vol. 71, # 7, p. 756 - 765 |
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