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25487-66-5

Name 3-Carboxyphenylboronic acid
CAS 25487-66-5
EINECS(EC#) 607-734-6
Molecular Formula C7H7BO4
MDL Number MFCD00036833
Molecular Weight 165.94
MOL File 25487-66-5.mol
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Chemical Properties

Appearance off-white crystalline powder
Melting point  243-247 °C (lit.)
Boiling point  434.5±47.0 °C(Predicted)
density  1.40±0.1 g/cm3(Predicted)
storage temp.  0-6°C
solubility  DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form  Crystalline Powder
pka 4.21±0.10(Predicted)
color  Off-white
Water Solubility  2.5 g/100 mL
Detection Methods HPLC,NMR
BRN  2967400
InChI InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
InChIKey DBVFWZMQJQMJCB-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(B(O)O)=C1
CAS DataBase Reference 25487-66-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  2
RTECS  CY8750000
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29319099
Toxicity
mouse,LD50,intravenous,2560mg/kg (2560mg/kg),"Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964.

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