85068-27-5

Name 2,5-Difluorophenylacetic acid
CAS 85068-27-5
EINECS(EC#) 285-288-8
Molecular Formula C8H6F2O2
MDL Number MFCD00010000
Molecular Weight 172.13
MOL File 85068-27-5.mol
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Chemical Properties

Appearance white crystals or crystalline flakes
Melting point  126-128 °C (lit.)
Boiling point  219°C (rough estimate)
density  1,02 g/cm3
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 3.81±0.10(Predicted)
color  White to Off-White
BRN  6844956
InChI 1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey FKCRTRYQHZHXES-UHFFFAOYSA-N
SMILES OC(=O)Cc1cc(F)ccc1F
CAS DataBase Reference 85068-27-5(CAS DataBase Reference)
NIST Chemistry Reference 2,5-Difluorophenylacetic acid(85068-27-5)

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

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