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ChemicalBook--->CAS DataBase List--->112897-97-9

112897-97-9

112897-97-9 Structure

112897-97-9 Structure
IdentificationMore
[Name]

trans-3,4-Difluorocinnamic acid
[CAS]

112897-97-9
[Synonyms]

3,4-DIFLUOROCINNAMIC ACID
AKOS 92715
RARECHEM BK HW 0122
TIMTEC-BB SBB006677
TRANS-3,4-DIFLUOROCINNAMIC ACID
trans-3,4-Difluorocinnamic acid 97%
trans-3,4-Difluorocinnamicacid97%
[Molecular Formula]

C9H6F2O2
[MDL Number]

MFCD00010320
[Molecular Weight]

184.14
[MOL File]

112897-97-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

194-196 °C(lit.)
[Boiling point ]

281.3±25.0 °C(Predicted)
[density ]

1.3056 (estimate)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4.27±0.10(Predicted)
[color ]

White to Almost white
[BRN ]

7370322
[CAS DataBase Reference]

112897-97-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Ethyl acetate-->Diethyl ether-->Dichloromethane-->Magnesium sulfate-->Sodium bicarbonate-->Hexane-->Triphenylphosphine-->tert-Butyl bromoacetate-->Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester-->3,4-Difluorobenzaldehyde
[Preparation Products]

(1R,2R)-2-(3,4-difluorophenyl)cyclopropanecarboxylic acid-->(E)-Methyl 3-(3,4-difluorophenyl)acrylate-->Benzene, 1,2-difluoro-4-[(1E)-2-isocyanatoethenyl]-
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

trans-3,4-Difluorocinnamic Acid is a starting material in the preparation of Ticagrelor (T437700), which is the first reversible oral P2Y12 receptor antagonist, provides faster, greater, and more consistent ADP-receptor inhibition than Clopidogrel.
Spectrum DetailBack Directory
[Spectrum Detail]

trans-3,4-Difluorocinnamic acid(112897-97-9)1HNMR
trans-3,4-Difluorocinnamic acid(112897-97-9)IR
trans-3,4-Difluorocinnamic acid(112897-97-9)Raman
trans-3,4-Difluorocinnamic acid(112897-97-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-3,4-Difluorocinnamic acid, 97%(112897-97-9)
[Alfa Aesar]

3,4-Difluorocinnamic acid, 97%(112897-97-9)
[Sigma Aldrich]

112897-97-9(sigmaaldrich)
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