871329-84-9

Name (3-CARBOXY-5-FLUORO)BENZENEBORONIC ACID
CAS 871329-84-9
Molecular Formula C7H6BFO4
MDL Number MFCD07363791
Molecular Weight 183.93
MOL File 871329-84-9.mol
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Chemical Properties

Melting point  264-266℃
Boiling point  434.0±55.0 °C(Predicted)
density  1.49±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.  Storage temp. 2-8°C
form  powder to crystal
pka 3.87±0.10(Predicted)
color  White to Almost white
InChI 1S/C7H6BFO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)
InChIKey APHPXZJIUTVQNC-UHFFFAOYSA-N
SMILES OB(O)c1cc(F)cc(c1)C(O)=O

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  nwg
Hazard Note  Irritant
HS Code  2931900090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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