80500-27-2

Name 4-Methyl-3-nitrophenylboronic acid
CAS 80500-27-2
EINECS(EC#) 672-692-8
Molecular Formula C7H8BNO4
MDL Number MFCD00191550
Molecular Weight 180.95
MOL File 80500-27-2.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  265-270 °C (lit.)
Boiling point  356.7±52.0 °C(Predicted)
density  1.33±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  soluble in Methanol,Acetone
form  powder to crystal
pka 7.19±0.10(Predicted)
color  White to Light yellow to Light orange
BRN  3279018
InChI 1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3
InChIKey OASVXBRTNVFKFS-UHFFFAOYSA-N
SMILES Cc1ccc(cc1[N+]([O-])=O)B(O)O
CAS DataBase Reference 80500-27-2(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 .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29319090
Storage Class 13 - Non Combustible Solids

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