2001-96-9

Name 4-NITROPHENYL-BETA-D-XYLOPYRANOSIDE
CAS 2001-96-9
EINECS(EC#) 217-897-1
Molecular Formula C11H13NO7
MDL Number MFCD00047519
Molecular Weight 271.22
MOL File 2001-96-9.mol
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Chemical Properties

Appearance Off-White to Pale Yellow Solid
Melting point  160 °C
Boiling point  523.2±50.0 °C(Predicted)
density  1.597±0.06 g/cm3(Predicted)
storage temp.  −20°C
solubility  methanol: 50 mg/mL, clear, faintly yellow
form  Solid
pka 12.67±0.70(Predicted)
color  White to Pale Yellow
Water Solubility  water: 40mg/mL
BRN  90066
Stability: Freezer
InChI InChI=1/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9+,10-,11+/s3
InChIKey MLJYKRYCCUGBBV-VIDHJGKANA-N
SMILES O(C1C=CC(N(=O)=O)=CC=1)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |&1:10,13,15,17,r|
CAS DataBase Reference 2001-96-9(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 .
WGK Germany  3
F  3-10-21
HS Code  29400090
Storage Class 11 - Combustible Solids

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