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A3263912

trans-3,4-Difluorocinnamic Acid , 98% , 112897-97-9

CAS NO.:112897-97-9

Empirical Formula: C9H6F2O2

Molecular Weight: 184.14

MDL number: MFCD00010320

Pack Size Price Stock Quantity
1G RMB29.60 In Stock
5G RMB64.80 In Stock
25G RMB251.20 In Stock
100G RMB722.40 In Stock
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Update time: 2022-07-08

PRODUCT Properties

Melting point: 194-196 °C(lit.)
Boiling point: 281.3±25.0 °C(Predicted)
Density  1.3056 (estimate)
storage temp.  2-8°C
solubility  soluble in Methanol
form  powder to crystal
pka 4.27±0.10(Predicted)
color  White to Almost white
BRN  7370322
InChI 1S/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey HXBOHZQZTWAEHJ-DUXPYHPUSA-N
SMILES [H]\C(=C(\[H])c1ccc(F)c(F)c1)C(O)=O
CAS DataBase Reference 112897-97-9(CAS DataBase Reference)

Description and 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.

Safety

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
WGK Germany  3
HazardClass  IRRITANT
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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