Molecular Structure of Debropol (CAS No.24403-04-1):
Molecular Formula: C3H6BrNO3
Molecular Weight: 183.9886
CAS No: 24403-04-1
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 55.05 Å2
Index of Refraction: 1.526
Molar Refractivity: 31.2 cm3
Molar Volume: 101.5 cm3
Surface Tension: 52.9 dyne/cm
Density: 1.811 g/cm3
Flash Point: 95.9 °C
Enthalpy of Vaporization: 54.82 kJ/mol
Boiling Point: 234.9 °C at 760 mmHg
Vapour Pressure: 0.00942 mmHg at 25°C
InChI: InChI=1/C3H6BrNO3/c1-3(4,2-6)5(7)8/h6H,2H2,1H3
InChIKey: NYWJACXVDUOPFY-UHFFFAOYAM
Std. InChI: InChI=1S/C3H6BrNO3/c1-3(4,2-6)5(7)8/h6H,2H2,1H3
Std. InChIKey: NYWJACXVDUOPFY-UHFFFAOYSA-N
IUPAC Name: 2-Bromo-2-nitropropan-1-ol
Hazard Codes: T,N
Risk Statements: 22-24-34-43-48/22-50/53
R22:Harmful if swallowed.
R24:Toxic in contact with skin.
R34:Causes burns.
R43:May cause sensitization by skin contact.
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-36/37/39-45-60-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
Debropol (CAS No.24403-04-1), its synonyms are 2-Bromo-2-nitropropan-1-ol ; (±)-2-Bromo-2-nitro-1-propanol ; 1-Propanol, 2-bromo-2-nitro- .
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