| Identification | More | [Name]
3-(Trifluoromethyl)cinnamic acid | [CAS]
779-89-5 | [Synonyms]
3-[3-(TRIFLUOROMETHYL)PHENYL]-2-PROPENOIC ACID
3-[3-(TRIFLUOROMETHYL)PHENYL]ACRYLIC ACID
3-[3-(TRIFLUOROMETHYL)PHENYL]PROP-2-ENOIC ACID
3-(TRIFLUOROMETHYL)CINNAMIC ACID
MTF-CNA
M-TRIFLUOROMETHYL CINNAMIC ACID
RARECHEM BK HW 0018
TIMTEC-BB SBB000553
TRANS-3-(TRIFLUOROMETHYL)CINNAMIC ACID
3-[3-(trifluoromethyl)phenyl]-2-propenoicaci
3-(TRIFLUOROMETHYL)CINNAMIC ACID, 98%, P REDOMINANTLY TRANS
3-rifluoromethyl)CinnamicAcid
m-(Trifluoromethyl)Cinnamic
3-(trifluoromethyl)cinnamic acid, predominantly trans
3-(Trifluoromethyl)cinnamic acid 98%
3-(Trifluoromethyl)cinnamicacid98%
3-(TRIFLUOROMETHYL)CINNAMIC ACID 99+%
3-(Trifluoromethyl)cinnamic acid, predominantly trans, 98+%
(E)-3-[3-(Trifluoromethyl)phenyl]prop-2-enoic acid
2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]- | [EINECS(EC#)]
212-301-6 | [Molecular Formula]
C10H7F3O2 | [MDL Number]
MFCD00004393 | [Molecular Weight]
216.16 | [MOL File]
779-89-5.mol |
| Chemical Properties | Back Directory | [Appearance]
White Solid | [Melting point ]
135-137 °C(lit.)
| [Boiling point ]
224°C (rough estimate) | [density ]
1.3275 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.25±0.10(Predicted) | [color ]
White to Off-White | [Usage]
Had sedative hypnotic activity in mice, showing potent inhibition of spontaneous motility. | [BRN ]
1963372 | [InChI]
InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15) | [InChIKey]
KSBWHDDGWSYETA-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C=CC1=CC=CC(C(F)(F)F)=C1 | [CAS DataBase Reference]
779-89-5(CAS DataBase Reference) | [EPA Substance Registry System]
779-89-5(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin . | [Safety Statements ]
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 | [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Uses]
Had sedative hypnotic activity in mice, showing potent inhibition of spontaneous motility. | [Definition]
ChEBI: (E)-3-(trifluoromethyl)cinnamic acid (779-89-5) is a member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the meta-position. It is a member of cinnamic acids, a member of styrenes and a member of (trifluoromethyl)benzenes. It is functionally related to a trans-cinnamic acid.
| [Synthesis]
To a suspension of m-trifluoromethyl-α-bromohydrocinnamic acid, isopropanol (1.42 1) and benzyltriethylammonium chloride (10.85g), aqueous sodium hydroxide (340 ml, 56%) was added slowly. The temperature was raised to 55-60℃, stirred for 7 hours, and isopropanol was removed in vacuo. Water (500ml) was added to the reaction mass, stirred, cooled to 0℃, and acidified with hydrochloric acid (450ml). The solid was filtered, washed with water, and dried in vacuo at 5O℃ to afford 204g of 3-(Trifluoromethyl)cinnamic acid.
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