3459-18-5

Name 4-NITROPHENYL-N-ACETYL-BETA-D-GLUCOSAMINIDE
CAS 3459-18-5
EINECS(EC#) 222-398-7
Molecular Formula C14H18N2O8
MDL Number MFCD00063696
Molecular Weight 342.3
MOL File 3459-18-5.mol

Chemical Properties

Appearance Slightly Off-White Crystalline Solid
Melting point  210-212 °C
alpha  -14~-18°(D/20℃) (c=0,H2O)
Boiling point  477.77°C (rough estimate)
density  1.3038 (rough estimate)
refractive index  1.5110 (estimate)
storage temp.  −20°C
solubility  H2O: 5 mg/mL, clear, colorless to very faintly yellow
form  Fine Powder
pka 12.76±0.70(Predicted)
color  White to off-white
Water Solubility  water: 5mg/mL, clear, colorless to very faintly yellow
Usage Useful substrate for the rapid colorimetric assay of N-Acetyl-beta-glucosaminidase in human urine
λmax 400nm(Phosphate buffer sol.)(lit.)
BRN  96193
InChI InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/s3
InChIKey OMRLTNCLYHKQCK-DOSMMQPLNA-N
SMILES O(C1C=CC(N(=O)=O)=CC=1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C |&1:10,12,15,17,19,r|
CAS DataBase Reference 3459-18-5(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Hazard Codes  Xi
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
F  10-21
HS Code  29329990
Storage Class 11 - Combustible Solids

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