2492-87-7

Name 4-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE
CAS 2492-87-7
EINECS(EC#) 219-661-3
Molecular Formula C12H15NO8
MDL Number MFCD00006593
Molecular Weight 301.25
MOL File 2492-87-7.mol
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Chemical Properties

Appearance White Crystals
Melting point  165-168 °C
Boiling point  442.39°C (rough estimate)
density  1.3709 (rough estimate)
refractive index  -102.5 ° (C=1, H2O)
storage temp.  2-8°C
solubility  Methanol (Slightly, Sonicated), Water (Slightly)
form  Powder
pka 12.55±0.70(Predicted)
color  White to yellow
Water Solubility  Soluble in water, methanol, warm ethanol, dimethyl sulfoxide and dimethylformamide. Insoluble in ether.
BRN  92211
Stability: Hygroscopic
InChI 1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
InChIKey IFBHRQDFSNCLOZ-RMPHRYRLSA-N
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
LogP -0.550 (est)
CAS DataBase Reference 2492-87-7(CAS DataBase Reference)
Storage Precautions Light sensitive;Moisture sensitive
EPA Substance Registry System .beta.-D-Glucopyranoside, 4-nitrophenyl (2492-87-7)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
Signal word  Warning
Hazard statements  H302-H371
Precautionary statements  P260
Hazard Codes  Xn,Xi
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R68/20/21/22:Harmful: possible risk of irreversible effects through inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
F  3-10-21
TSCA  Yes
HS Code  29400090
Storage Class 11 - Combustible Solids

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