166316-48-9

Name 4-(2-CARBOXYETHYL)BENZENEBORONIC ACID
CAS 166316-48-9
EINECS(EC#) 681-349-1
Molecular Formula C9H11BO4
MDL Number MFCD01318119
Molecular Weight 193.99
MOL File 166316-48-9.mol
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Chemical Properties

Melting point  158-160°C
Boiling point  419.2±47.0 °C(Predicted)
density  1.28±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  solid
pka 4.63±0.10(Predicted)
Appearance White to off-white Solid
Water Solubility  Slightly soluble in water.
BRN  9198524
InChI 1S/C9H11BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5,13-14H,3,6H2,(H,11,12)
InChIKey VPSARXNVXCRDIV-UHFFFAOYSA-N
SMILES OB(O)c1ccc(CCC(O)=O)cc1
CAS DataBase Reference 166316-48-9(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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
WGK Germany  WGK 3
HS Code  2931900090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2

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