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779-89-5

Basic Information
CAS No.: 779-89-5
Name: 3-(Trifluoromethyl)cinnamic acid
Article Data: 33
Molecular Structure:
Molecular Structure of 779-89-5 (3-(Trifluoromethyl)cinnamic acid)
Formula: C10H7F3O2
Molecular Weight: 216.16
Synonyms: 3-(3-(Trifluoromethyl)phenyl)-2-propenoic acid;3-(3-(Trifluoromethyl)phenyl)acrylic acid;
EINECS: 212-301-6
Density: 1.363 g/cm3
Melting Point: 135-137 °C(lit.)
Boiling Point: 289.6 °C at 760 mmHg
Flash Point: 129 °C
Appearance: white solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-37/38
Safety: 26-37/39-37
PSA: 37.30000
LogP: 2.80320
Synthetic route
401-81-0

m-trifluoromethylphenyl iodide

292638-85-8

acrylic acid methyl ester

779-89-5

3-(trifluoromethyl)cinnamic acid

Conditions
ConditionsYield
With triethylamine; di-(3-methylphenyl)phosphinopolystyrene palladium catalyst In acetonitrile at 80℃; for 20h; Heck cross-coupling reaction;96%
141-82-2

malonic acid

454-89-7

3-Trifluoromethylbenzaldehyde

779-89-5

3-(trifluoromethyl)cinnamic acid

Conditions
ConditionsYield
With piperidine; pyridine at 110℃;89%
piperidine In pyridine at 110 - 115℃; Knoevenagel-Doebner condensation;72%
With piperidine In pyridine at 80 - 90℃;
1015065-52-7

m-trifluoromethyl-α-bromohydrocinnamic acid

779-89-5

3-(trifluoromethyl)cinnamic acid

Conditions
ConditionsYield
Stage #1: m-trifluoromethyl-α-bromohydrocinnamic acid With sodium hydroxide; water; N-benzyl-N,N,N-triethylammonium chloride In isopropyl alcohol at 55 - 60℃; for 7h;
Stage #2: With hydrogenchloride; water at 0℃;
454-89-7

3-Trifluoromethylbenzaldehyde

108-24-7

acetic anhydride

779-89-5

3-(trifluoromethyl)cinnamic acid

Conditions
ConditionsYield
at 175℃; for 5.25h;
454-89-7

3-Trifluoromethylbenzaldehyde

malonic

malonic

779-89-5

3-(trifluoromethyl)cinnamic acid

Conditions
ConditionsYield
With piperidine; pyridine at 90℃;
116577-12-9, 113048-68-3

(E)-ethyl 3-(3-trifluoromethylphenyl)prop-2-enoate

779-89-5

3-(trifluoromethyl)cinnamic acid

Conditions
ConditionsYield
With lithium hydroxide In tetrahydrofuran; ethanol; water at 20℃; for 4h;
454-89-7

3-Trifluoromethylbenzaldehyde

779-89-5

3-(trifluoromethyl)cinnamic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dichloromethane / 16 h / 0 - 20 °C
2: lithium hydroxide / tetrahydrofuran; ethanol; water / 4 h / 20 °C
View Scheme
779-89-5

3-(trifluoromethyl)cinnamic acid

60689-14-7

trans-3-(trifluoromethyl)cinnamoyl chloride

Conditions
ConditionsYield
With thionyl chloride In dichloromethane; N,N-dimethyl-formamide Reflux; Inert atmosphere;100%
With oxalyl dichloride; calcium carbonate In N,N-dimethyl-formamide; benzene for 24h; Ambient temperature;
With thionyl chloride at 90℃; for 3h;
779-89-5

3-(trifluoromethyl)cinnamic acid

585-50-2

3-(3-trifluoromethylphenyl)propanoic acid

Conditions
ConditionsYield
With hydrogen; palladium dihydroxide at 40 - 60℃; under 2250.23 Torr;100%
With palladium on activated charcoal; hydrogen; sodium carbonate In water at 25℃; under 1500.15 - 2250.23 Torr; for 3h;99.4%
With hydrogen; palladium on activated charcoal In methanol at 20 - 25℃; under 30.003 Torr;95.2%
779-89-5

3-(trifluoromethyl)cinnamic acid

68-12-2, 33513-42-7

N,N-dimethyl-formamide

93040-63-2

(E)-N,N-dimethyl-3-(3-(trifluoromethyl)phenyl)acrylamide

Conditions
ConditionsYield
With hydrogenchloride; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In 1,4-dioxane at 120℃; for 4h;99%
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Chemistry

Molecular structure of 2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)- (CAS NO.779-89-5) is:

Product Name: 2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)-
CAS Registry Number: 779-89-5
IUPAC Name: (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
Molecular Weight: 216.15659 [g/mol]
Molecular Formula: C10H7F3O2
XLogP3: 3
H-Bond Donor: 1
H-Bond Acceptor: 5 
EINECS: 212-301-6
Melting Point: 135-137 °C(lit.) 
Surface Tension: 36.3 dyne/cm
Density: 1.363 g/cm3
Flash Point: 129 °C
Enthalpy of Vaporization: 55.86 kJ/mol
Boiling Point: 289.6 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25°C  
Product Categories: Aromatic Cinnamic Acids, Esters and Derivatives; Miscellaneous; Aromatics Compounds; Aromatics; Inhibitors; C10; Carbonyl Compounds; Carboxylic Acids

Safety Profile

Safty information about 2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)- (CAS NO.779-89-5) is:
Hazard Codes: IrritantXi
Risk Statements: 36/37/38-37/38 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R37/38:Irritating to respiratory system and skin.
Safety Statements: 26-37/39-37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection. 
S37:Wear suitable gloves.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

 2-Propenoic acid, 3-(3-(trifluoromethyl)phenyl)- , its cas register number is 779-89-5. It also can be called 3-(3-(Trifluoromethyl)phenyl)-2-propenoic acid ; 3-(3-(Trifluoromethyl)phenyl)acrylic acid ; 3-(Trifluoromethyl)cinnamic acid .It is a white solid.