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779-89-5

779-89-5 Structure

779-89-5 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P302+P352-P305+P351+P338
[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
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-(Trifluoromethyl)cinnamic acid(779-89-5).msds
Hazard InformationBack 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.
3-(Trifluoromethyl)cinnamic acid
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Trifluoromethyl)cinnamic acid(779-89-5)MS
3-(Trifluoromethyl)cinnamic acid(779-89-5)1HNMR
3-(Trifluoromethyl)cinnamic acid(779-89-5)13CNMR
3-(Trifluoromethyl)cinnamic acid(779-89-5)IR1
3-(Trifluoromethyl)cinnamic acid(779-89-5)IR2
3-(Trifluoromethyl)cinnamic acid(779-89-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(Trifluoromethyl)cinnamic acid, 98%(779-89-5)
[Alfa Aesar]

3-(Trifluoromethyl)cinnamic acid, predominantly trans, 98+%(779-89-5)
[Sigma Aldrich]

779-89-5(sigmaaldrich)
[TCI AMERICA]

3-(Trifluoromethyl)cinnamic Acid,>99.0%(T)(779-89-5)
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