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CAS No.: | 459-32-5 |
---|---|
Name: | 4-Fluorocinnamic acid |
Article Data: | 129 |
Molecular Structure: | |
Formula: | C9H7FO2 |
Molecular Weight: | 166.152 |
Synonyms: | Cinnamic acid, p-fluoro-(6CI,7CI,8CI);3-(4-Fluorophenyl)-2-propenoic acid;3-(4-Fluorophenyl)acrylicacid;NSC 74070;p-Fluorocinnamicacid;2-Propenoicacid, 3-(4-fluorophenyl)-; |
EINECS: | 207-288-9 |
Density: | 1.285 g/cm3 |
Melting Point: | 209-210 °C(lit.) |
Boiling Point: | 281.6 °C at 760 mmHg |
Flash Point: | 124.1 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi,C |
Risk Codes: | 36/37/38-34 |
Safety: | 37/39-26-45-36/37/39-27 |
PSA: | 37.30000 |
LogP: | 1.92350 |
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Molecule structure of p-Fluorocinnamic acid (CAS NO.459-32-5):
IUPAC Name: (E)-3-(4-Fluorophenyl)prop-2-enoic acid
Molecular Weight: 166.149083 g/mol
Molecular Formula: C9H7FO2
Density: 1.285 g/cm3
Melting Point: 209-210 °C(lit.)
Boiling Point: 281.6 °C at 760 mmHg
Flash Point: 124.1 °C
Index of Refraction: 1.591
Molar Refractivity: 43.7 cm3
Molar Volume: 129.2 cm3
Surface Tension: 47.4 dyne/cm
Enthalpy of Vaporization: 54.97 kJ/mol
Vapour Pressure: 0.00167 mmHg at 25 °C
XLogP3: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 166.043008
MonoIsotopic Mass: 166.043008
Topological Polar Surface Area: 37.3
Heavy Atom Count: 12
Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)F
Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=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+
InChIKey: ISMMYAZSUSYVQG-ZZXKWVIFSA-N
EINECS: 207-288-9
Product Categories: Fluoro-contained cinnamic acid series; Aromatic Cinnamic Acids, Esters and Derivatives; Cinnamic acid; Miscellaneous; Acids & Esters; Fluorine Compounds; C9; Carbonyl Compounds; Carboxylic Acids
p-Fluorocinnamic acid (CAS NO.459-32-5) is used in organic synthesis.
Hazard Codes: Xi, C
Risk Statements: 36/37/38-34
R36/37/38:Irritating to eyes, respiratory system and skin.
R34:Causes burns.
Safety Statements: 37/39-26-45-36/37/39-27
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 the label whenever 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
p-Fluorocinnamic acid (CAS NO.459-32-5) is also named as 2-Propenoic acid, 3-(4-fluorophenyl)- ; 4-Fluorocinnamic acid ; (E)-3-(2-hydroxyphenyl)acrylic acid . p-Fluorocinnamic acid (CAS NO.459-32-5) is white to light yellow crystal powder.