112897-97-9

Name trans-3,4-Difluorocinnamic acid
CAS 112897-97-9
Molecular Formula C9H6F2O2
MDL Number MFCD00010320
Molecular Weight 184.14
MOL File 112897-97-9.mol

Chemical Properties

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
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)

Safety Data

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
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

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