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| CAS No.: | 2492-87-7 |
|---|---|
| Name: | 4-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H15NO8 |
| Molecular Weight: | 301.253 |
| Synonyms: | Glucopyranoside,p-nitrophenyl, b-D-(6CI,7CI,8CI);4-Nitrophenyl b-D-glucopyranoside;4-Nitrophenyl b-D-glucoside;p-Nitrophenol b-D-glucoside;p-Nitrophenylglucopyranoside;p-Nitrophenyl b-D-glucopyranoside;p-Nitrophenyl b-D-glucoside;p-Nitrophenyl b-glucoside; |
| EINECS: | 219-661-3 |
| Density: | 1.599 g/cm3 |
| Melting Point: | 165-168 °C |
| Boiling Point: | 582.2 °C at 760 mmHg |
| Flash Point: | 305.9 °C |
| Solubility: | Soluble in water, methanol, warm ethanol, dimethyl sulfoxide and dimethylformamide. Insoluble in ether. |
| Appearance: | White crystals |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-68/20/21/22-36/37/38 |
| Safety: | 36/37-36-26 |
| PSA: | 145.20000 |
| LogP: | -0.70330 |
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Chemistry
Molecular Structure of b-D-Glucopyranoside, 4-nitrophenyl (CAS NO.2492-87-7):
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IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
Empirical Formula: C12H15NO8
Molecular Weight: 301.2494
H bond acceptors: 9
H bond donors: 4
Freely Rotating Bonds: 8
Polar Surface Area: 101.2 Å2
Index of Refraction: 1.647
Molar Refractivity: 68.5 cm3
Molar Volume: 188.3 cm3
Surface Tension: 74.1 dyne/cm
Density: 1.599 g/cm3
Flash Point: 305.9 °C
Enthalpy of Vaporization: 91.56 kJ/mol
Boiling Point: 582.2 °C at 760 mmHg
Vapour Pressure: 2.14E-14 mmHg at 25°C
Melting point: 165-168 °C
Storage temp: 2-8°C
BRN: 92211
EINECS: 219-661-3
Product Categories: Substrates; Biochemistry; Glucose; Glycosides; Sugars; Carbohydrates & Derivatives
InChI
InChI=1/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
Smiles
[O-][N+](=O)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@@H](O)[C@H]2O)CO)cc1
Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21/22-68/20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R68:Possible risk of irreversible effects.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37-36-26
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
Specification
b-D-Glucopyranoside, 4-nitrophenyl , with CAS number of 2492-87-7, can be called .beta.-D-glucopyranoside, 4-nitrophenyl ; beta-D-Glucopyranoside, 4-nitrophenyl (9CI) ; beta-D-glucopyranoside, 4-nitrophenyl ; para-Nitrophenyl b-D-glucopyranoside ; Glucopyranoside,p-nitrophenyl, b-D-(6CI,7CI,8CI) ; 4-Nitrophenyl b-D-glucopyranoside . It is a white crystal.