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Name |
4-Bromo-2-nitrobenzyl alcohol |
EINECS | N/A |
CAS No. | 22996-19-6 | Density | 1.767 g/cm3 |
PSA | 66.05000 | LogP | 2.37280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6BrNO3 | Boiling Point | 338.5 °C at 760 mmHg |
Molecular Weight | 232.034 | Flash Point | 158.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzylalcohol, 4-bromo-2-nitro- (8CI); |
Article Data | 7 |
The 4-Bromo-2-nitrobenzyl alcohol is an organic compound with the formula C7H6BrNO3. The IUPAC name of this chemical is (4-bromo-2-nitrophenyl)methanol. With the CAS registry number 22996-19-6, it is also named as benzenemethanol, 4-bromo-2-nitro-. The product's categories are Benzhydrols; Benzyl & Special Alcohols.
Physical properties about 4-Bromo-2-nitrobenzyl alcohol are: (1)ACD/LogP: 1.34 ; (2)ACD/LogD (pH 5.5): 1.34; (3)ACD/LogD (pH 7.4): 1.34; (4)ACD/BCF (pH 5.5): 6.14; (5)ACD/BCF (pH 7.4): 6.14; (6)ACD/KOC (pH 5.5): 127.65; (7)ACD/KOC (pH 7.4): 127.65; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 66.05 Å2; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 46.93 cm3; (14)Molar Volume: 131.2 cm3; (15)Polarizability: 18.6×10-24cm3; (16)Surface Tension: 60.9 dyne/cm; (17)Density: 1.767 g/cm3; (18)Flash Point: 158.5 °C; (19)Enthalpy of Vaporization: 61.41 kJ/mol; (20)Boiling Point: 338.5 °C at 760 mmHg; (21)Vapour Pressure: 3.81E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1Br)[N+](=O)[O-])CO
(2)InChI: InChI=1/C7H6BrNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2
(3)InChIKey: VEVBVFGGMFKIBA-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H6BrNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2
(5)Std. InChIKey: VEVBVFGGMFKIBA-UHFFFAOYSA-N