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Cas Database |
| Name |
4-Nitrophenyl alpha-D-glucopyranoside |
EINECS | 223-189-3 |
| CAS No. | 3767-28-0 | Density | 1.599 g/cm3 |
| PSA | 145.20000 | LogP | -0.70330 |
| Solubility | Soluble in water, warm ethanol and methanol. | Melting Point |
210-216 °C |
| Formula | C12H15NO8 | Boiling Point | 582.2 °C at 760 mmHg |
| Molecular Weight | 301.253 | Flash Point | 305.9 °C |
| Transport Information | N/A | Appearance | White crystals |
| Safety | 24/25-36-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Glucopyranoside,p-nitrophenyl, a-D-(8CI);a-D-Glucopyranoside, p-nitrophenyl(7CI);a-D-Glucoside, p-nitrophenyl(6CI);4-Nitrophenyl a-D-glucopyranoside;4-Nitrophenyl a-D-glucoside;4'-Nitrophenyl a-D-glucopyranoside;p-Nitrophenola-D-glucoside;p-Nitrophenyl a-D-glucopyranoside;p-Nitrophenyla-D-glucoside; |
Article Data | 19 |
4-Nitrophenyl alpha-D-glucopyranoside Chemical Properties
Product Name: 4-Nitrophenyl alpha-glucoside (CAS NO.3767-28-0)
Molecular Formula: C12H15NO8
Molecular Weight: 301.25g/mol
Mol File: 3767-28-0.mol
EINECS: 223-189-3
Melting Point: 210-216 °C
Boiling point: 582.2 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 305.9 °C
Density: 1.599 g/cm3
Surface Tension: 74.1 dyne/cm
Enthalpy of Vaporization: 91.56 kJ/mol
Vapour Pressure: 2.14E-14 mmHg at 25°C
XLogP3-AA: -0.4
H-Bond Donor: 4
H-Bond Acceptor: 8
Structure Descriptors of 4-Nitrophenyl alpha-glucoside (CAS NO.3767-28-0):
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
Isomeric SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: 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-ZIQFBCGOSA-N
Product Categories: Substrates; Aromatics Compounds; Biochemistry; Glucose; Glycosides; Sugars; Aromatics; Carbohydrates & Derivatives
4-Nitrophenyl alpha-D-glucopyranoside Safety Profile
Safety Information of 4-Nitrophenyl alpha-glucoside (CAS NO.3767-28-0):
Hazard Codes: Xi
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 24/25-36-26
24: Avoid contact with skin
25: Avoid contact with eyes
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
WGK Germany: 3
F: 3-10-21
4-Nitrophenyl alpha-D-glucopyranoside Specification
4-Nitrophenyl alpha-glucoside , its CAS NO. is 3767-28-0, the synonyms are EINECS 223-189-3 ; 4-Nitrophenyl alpha-D-glucopyranoside .
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