112897-97-9

Basic information

• Product Name: trans-3,4-Difluorocinnamic acid
• Synonyms: (E)-3,4-Difluorophenylacrylic acid, (2E)-3-(3,4-Difluorophenyl)prop-2-enoic acid;AKOS 92715;3,4-DIFLUOROCINNAMIC ACID;TIMTEC-BB SBB006677;RARECHEM BK HW 0122;TRANS-3,4-DIFLUOROCINNAMIC ACID;trans-3,4-Difluorocinnamic acid 97%;trans-3,4-Difluorocinnamicacid97%
• CAS NO: 112897-97-9
• Molecular Formula: C₉H₆F₂O₂
• Molecular Weight: 184.14
• Product Categories: Fluoro-contained cinnamic acid series;Aromatic Cinnamic Acids, Esters and Derivatives;Cinnamic acid;Miscellaneous;C9;Carbonyl Compounds;Carboxylic Acids
• Mol File: 112897-97-9.mol
• Article Data: 9

Chemical Properties

• Melting Point: 194-196 °C(lit.)
• Boiling Point: 281.3 °C at 760 mmHg
• Flash Point: 124 °C
• Appearance: white to light yellow crystal powder
• Density: 1.3056 (estimate)
• Vapor Pressure: 0.0017mmHg at 25°C
• Storage Temp.: 2-8°C
• Solubility: soluble in Methanol
• PKA: 4.27±0.10(Predicted)
• BRN: 7370322
• CAS DataBase Reference: trans-3,4-Difluorocinnamic acid(CAS DataBase Reference)
• NIST Chemistry Reference: trans-3,4-Difluorocinnamic acid(112897-97-9)
• EPA Substance Registry System: trans-3,4-Difluorocinnamic acid(112897-97-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 112897-97-9(Hazardous Substances Data)

Usage

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.

InChI:InChI=1/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/p-1/b4-2+

Upstream product

• 34036-07-2 3,4-Difluorobenzaldehyde 
• 110-54-3 Hexane 
• 603-35-0 Triphenylphosphine 
• 60-29-7 Diethyl ether 
• 69739-34-0 Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester 
• 141-78-6 Ethyl acetate 
• 5292-43-3 tert-Butyl bromoacetate 
• 144-55-8 Sodium bicarbonate 

Downstream Products

• 112897-98-0 P1,P3-DI(ADENOSINE-5') TRIPHOSPHATE,*PERIODATE OXIDI 
• 112897-99-1 5'-O-[Bis(4-methoxyphenyl)phenylmethyl]cytidine 
• 112898-00-7 FMOC-D-GLN-OH 
• 112898-02-9 N-FORMYL-MET-LEU-PHE-O-FLUOROBENZYLAMIDE 
• 112898-03-0 GLYCINE-1-13C-15N 
• 112898-04-1 GROWTH HORMONE RELEASING FACTOR 1-29*AMIDE, BOVINE 
• 112898-06-3 H-ARG-PRO-PNA 
• 112898-07-4 adenylyl 5'-phosphoramidate, diammonium salt 
• 112898-08-5 ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO- ASN-ALA 
• 112898-09-6 dl-2-amino-7-phosphonoheptanoic acid*lithium 
• 112898-10-9 2-ACETAMIDO-N-(E-AMINOCAPROYL)-2-DEOXY-BETA-D-GLUCOPYRANOSYLAMINE 
• 112898-11-0 (2S,3R)3-amino-2-hydroxy-4-(4-nitrophenyl)butyric acid.HCl 
• 112898-14-3 2'-3'-O-(4-BENZOYLBENZOYL)GUANOSINE*5'-TRIPHOSPHATE 
• 112898-15-4 2'- AND 3'-O-(4-BENZOYLBENZOYL)-ADENOSINE 5'-TRIPHOSPHATE TRIETHYLAMMONIUM SALT 

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