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79524-20-2

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Basic Information
CAS No.: 79524-20-2
Name: 4-(4-NITROPHENYL)-1-BUTANOL
Article Data: 6
Molecular Structure:
Molecular Structure of 79524-20-2 (4-(4-NITROPHENYL)-1-BUTANOL)
Formula: C10H13NO3
Molecular Weight: 195.218
Synonyms: 4-(4-NITROPHENYL)-1-BUTANOL;4-(4-nitrophenyl)butan-1-ol;1-(4-Hydroxybutyl)-4-nitrobenzene
EINECS: 279-175-2
Density: 1.185 g/cm3
Boiling Point: 356.2 °C at 760 mmHg
Flash Point: 154.7 °C
PSA: 66.05000
LogP: 2.43300
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Specification

The 4-(4-Nitrophenyl)butan-1-ol is an organic compound with the formula C10H13NO3. The IUPAC name of this chemical is 4-(4-nitrophenyl)butan-1-ol. With the CAS registry number 79524-20-2, it is also named as benzenebutanol, 4-nitro-. The product's categories are Alcohols; C9 to C30; Oxygen Compounds.

Physical properties about 4-(4-Nitrophenyl)butan-1-ol are: (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 2.13; (4)ACD/BCF (pH 5.5): 24.67; (5)ACD/BCF (pH 7.4): 24.67; (6)ACD/KOC (pH 5.5): 345.29; (7)ACD/KOC (pH 7.4): 345.29; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.05 Å2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 53.14 cm3; (14)Molar Volume: 164.6 cm3; (15)Polarizability: 21.06×10-24cm3; (16)Surface Tension: 49 dyne/cm; (17)Density: 1.185 g/cm3; (18)Flash Point: 154.7 °C; (19)Enthalpy of Vaporization: 63.46 kJ/mol; (20)Boiling Point: 356.2 °C at 760 mmHg; (21)Vapour Pressure: 1.09E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-(4-nitro-phenyl)-butyric acid. This reaction will need reagent BH3*SMe2 and solvent tetrahydrofuran. The reaction time is 60 min. The yield is about 98%.

Uses of 4-(4-Nitrophenyl)butan-1-ol: it can be used to produce 1-(4-bromo-butyl)-4-nitro-benzene at temperature of 20 °C. It will need reagent triphenylphosphine, carbon tetrabromide and solvent acetonitrile with reaction time of 1 hour. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)CCCCO
(2)InChI: InChI=1/C10H13NO3/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h4-7,12H,1-3,8H2
(3)InChIKey: MFYJBAQONVFIFC-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H13NO3/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h4-7,12H,1-3,8H2
(5)Std. InChIKey: MFYJBAQONVFIFC-UHFFFAOYSA-N