10344-94-2

Name 4-NITROPHENYL-BETA-D-GLUCURONIDE
CAS 10344-94-2
EINECS(EC#) 233-753-0
Molecular Formula C12H13NO9
MDL Number MFCD00036210
Molecular Weight 315.23
MOL File 10344-94-2.mol
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Chemical Properties

Appearance Crystalline Solid
Melting point  93°C
Boiling point  644.4±55.0 °C(Predicted)
density  1.731±0.06 g/cm3(Predicted)
storage temp.  −20°C
solubility  H2O: 0.1 g/mL, clear, faintly yellow
form  Liquid
pka 2.69±0.70(Predicted)
color  Clear colorless to light yellow
Optical Rotation [α]20/D 102±3°, c = 1% in ethanol
Water Solubility  Water : 250 mg/mL (793.07 mM; Need ultrasonic)
BRN  1438576
InChI InChI=1/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/s3
InChIKey QSUILVWOWLUOEU-GOVZDWNOSA-N
SMILES [C@H]1(OC2C=CC([N+]([O-])=O)=CC=2)[C@H](O)[C@H]([C@H](O)[C@@H](C(=O)O)O1)O |&1:0,11,13,14,16,r|
CAS DataBase Reference 10344-94-2(CAS DataBase Reference)

Safety Data

Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
F  10-21
HS Code  29329990

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