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| CAS No.: | 4264-82-8 |
|---|---|
| Name: | 5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-glucosaminide |
| Molecular Structure: | |
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| Formula: | C16H18BrClN2O6 |
| Molecular Weight: | 449.686 |
| Synonyms: | Indole,3-[(2-acetamido-2-deoxy-b-D-glucopyranosyl)oxy]-5-bromo-4-chloro- (7CI,8CI);5-Bromo-4-chloro-1H-indol-3-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside;beta-D-glucopyranoside, 5-bromo-4-chloro-1H-indol-3-yl 2-(acetylamino)-2-deoxy-;5-Bromo-4-chloro-3-indolyl 2-acetamido-2-deoxy-beta-D-glucopyranoside;5-Bromo-4-chloro-3-indolyl N-acetyl-beta-D-galactosaminide; |
| Density: | 1.786 g/cm3 |
| Melting Point: | 240 °C(lit.) |
| Boiling Point: | 777.463 °C at 760 mmHg |
| Flash Point: | 423.995 °C |
| Appearance: | white to off-white powder |
| Safety: | 24/25 |
| PSA: | 124.04000 |
| LogP: | 1.29720 |
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Chemistry
Molecular Structure of 5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-glucosaminide (CAS NO.4264-82-8):
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IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
H bond acceptors: 8
H bond donors: 5
Freely Rotating Bonds: 7
Polar Surface Area: 71.39 Å2
Index of Refraction: 1.702
Molar Refractivity: 97.52 cm3
Molar Volume: 251.7 cm3
Surface Tension: 84.8 dyne/cm
Density: 1.78 g/cm3
Flash Point: 424 °C
Enthalpy of Vaporization: 118.69 kJ/mol
Boiling Point: 777.5 °C at 760 mmHg
Vapour Pressure: 1.92E-25 mmHg at 25°C
Melting point: 240 °C(lit.)
Storage temp: −20°C
Solubility: DMF: soluble
Safety Profile
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
F: 3-8-10
Specification
5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-glucosaminide , with CAS number of 4264-82-8, can be called Indole,3-[(2-acetamido-2-deoxy-b-D-glucopyranosyl)oxy]-5-bromo-4-chloro- (7CI,8CI) ; 5-Bromo-4-chloro-1H-indol-3-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside ; beta-D-glucopyranoside, 5-bromo-4-chloro-1H-indol-3-yl 2-(acetylamino)-2-deoxy- ; 5-Bromo-4-chloro-3-indolyl 2-acetamido-2-deoxy-beta-D-glucopyranoside ; 5-Bromo-4-chloro-3-indolyl N-acetyl-beta-D-galactosaminide ; 5-Bromo-4-chloro-3-indolyl N-acetyl-beta-D-glucosaminide ; 5-Bromo-4-chloro-3-indolyl N-acetyl-β-D-glucosaminide ; 5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-glucosaminide . It is a white to off-white powder.