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13331-27-6

Name 3-Nitrophenylboronic acid
CAS 13331-27-6
Molecular Formula C6H6BNO4
MDL Number MFCD00007193
Molecular Weight 166.93
MOL File 13331-27-6.mol
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Chemical Properties

Appearance White to light yellow crystal powde
Melting point  284-285 °C (dec.) (lit.)
Boiling point  363.3±44.0 °C(Predicted)
density  1.40±0.1 g/cm3(Predicted)
storage temp.  0-6°C
solubility  soluble in Ethanol,Methanol,Ether
form  Powder
pka 6.93±0.10(Predicted)
color  Light yellow to pale brown
Water Solubility  soluble in hot water
Sensitive  Hygroscopic
Detection Methods HPLC,NMR
BRN  2938638
InChI InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
InChIKey ZNRGSYUVFVNSAW-UHFFFAOYSA-N
SMILES B(C1=CC=CC([N+]([O-])=O)=C1)(O)O
CAS DataBase Reference 13331-27-6(CAS DataBase Reference)
EPA Substance Registry System 13331-27-6(EPA Substance)

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 .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  CY8980000
Hazard Note  Harmful
TSCA  T
HazardClass  IRRITANT
HS Code  29310095

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