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7244-77-1

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Basic Information
CAS No.: 7244-77-1
Name: P-PROPOXYNITROBENZENE
Article Data: 32
Molecular Structure:
Molecular Structure of 7244-77-1 (P-PROPOXYNITROBENZENE)
Formula: C9H11NO3
Molecular Weight: 181.191
Synonyms: Ether,p-nitrophenyl propyl(7CI,8CI);1-Nitro-4-propoxybenzene;Propyl p-nitrophenyl ether;p-Nitrophenyl propyl ether;p-Nitropropoxybenzene;p-Propoxynitrobenzene;
EINECS: 230-650-2
Density: 1.144 g/cm3
Boiling Point: 293.5 °C at 760 mmHg
Flash Point: 134.5 °C
PSA: 55.05000
LogP: 2.90680
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    Molecular Formula: C9H11NO3 Formula Weight: 181.19

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Specification

This chemical is called Benzene, 1-nitro-4-propoxy-, and its systematic name is 1-Nitro-4-propoxybenzene. With the molecular formula of C9H11NO3, its molecular weight is 181.19. The CAS registry number of this chemical is 7244-77-1.

Other characteristics of the Benzene, 1-nitro-4-propoxy- can be summarised as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.96; (6)ACD/BCF (pH 7.4): 131.96; (7)ACD/KOC (pH 5.5): 1146.64; (8)ACD/KOC (pH 7.4): 1146.64; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 48.74 cm3; (15)Molar Volume: 158.2 cm3; (16)Polarizability: 19.32×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 134.5 °C; (20)Enthalpy of Vaporization: 51.17 kJ/mol; (21)Boiling Point: 293.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00302 mmHg at 25°C.

Production method of Benzene, 1-nitro-4-propoxy-: It could be obtained by the reactants of 1-bromo-propane and 4-nitro-phenol. This reaction needs the reagents of potassium carbonate and acetone.

Benzene, 1-nitro-4-propoxy- could be obtained by the reactants of 1-bromo-propane and 4-nitro-phenol

Uses of Benzene, 1-nitro-4-propoxy-: The 4-propoxy-aniline be obtained by this chemical. This reaction needs the reagents of tin, alcohol, hydrochloric acid.

The 4-propoxy-aniline be obtained by Benzene, 1-nitro-4-propoxy-

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1ccc(OCCC)cc1
2.InChI: InChI=1/C9H11NO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3
3.InChIKey:AWOXUNCNGSHHSP-UHFFFAOYAJ