216394-04-6

Name TRANS-4-(BETA-NITROVINYL)BENZENEBORONIC ACID
CAS 216394-04-6
Molecular Formula C8H8BNO4
MDL Number MFCD01075748
Molecular Weight 192.96
MOL File 216394-04-6.mol
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Chemical Properties

Melting point  289-291°C
Boiling point  412.625±47.00 °C(Press: 760.00 Torr)(predicted)
density  1.327±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  solid
pka 7.532±0.10(predicted)
BRN  3293756
InChI 1S/C8H8BNO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-6,11-12H/b6-5+
InChIKey GMEGTAODWQPCOD-AATRIKPKSA-N
SMILES OB(O)c1ccc(cc1)\C=C\[N+]([O-])=O
CAS DataBase Reference 216394-04-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xn
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  1
HS Code  2931900090
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

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