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Benzene,1-nitro-4-(phenylmethoxy)- (1145-76-2)

Identification
Name:Benzene,1-nitro-4-(phenylmethoxy)-
Synonyms:Ether,benzyl p-nitrophenyl (6CI,7CI,8CI); ((4-Nitrophenoxy)methyl)benzene;1-(Benzyloxy)-4-nitrobenzene; 4-(Benzyloxy)nitrobenzene; Benzyl 4-nitrophenylether; Benzyl p-nitrophenyl ether; NSC 24667
CAS:1145-76-2
EINECS: 214-545-9
Molecular Formula: C13H11 N O3
Molecular Weight: 229.23
InChI: InChI=1/C13H11NO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
Molecular Structure: (C13H11NO3) Ether,benzyl p-nitrophenyl (6CI,7CI,8CI); ((4-Nitrophenoxy)methyl)benzene;1-(Benzyloxy)-4-nitrobenze...
Properties
Flash Point: 176°C
Boiling Point: 386.2°C at 760 mmHg
Density:1.232g/cm3
Refractive index:1.603
Specification:

The IUPAC name of 1-Benzyloxy-4-nitrobenzene is 1-nitro-4-phenylmethoxybenzene . With the CAS registry number 1145-76-2, it is also named as Benzene, 1-nitro-4-(phenylmethoxy)- ; p-(Benzyloxy)nitrobenzene ; 4-Benzyloxynitrobenzene ; Benzyl 4-nitrophenyl ether ; Benzyl p-nitrophenyl ether ; Ether, benzyl p-nitrophenyl . It is irritative.

The 1-Benzyloxy-4-nitrobenzene can be obtained by the following methods. For example: 1. The product can be prepared by bromomethyl-benzene and 4-nitro-phenol .

2. It also can be got by bromomethyl-benzene and phosphoric acid tris-(4-nitro-phenyl ester) .
 

The product also can be used in many organic synthesis to make other chemical. It can react with (4-chloro-phenoxy)-acetonitrile to get (5-benzyloxy-2-nitrophenyl)acetonitrile .

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 372.29 ; (2)ACD/BCF (pH 7.4): 372.29 ; (3)ACD/KOC (pH 5.5): 2409.02 ; (4)ACD/KOC (pH 7.4): 2409.02 ; (5)#H bond acceptors: 4 ; (6)#H bond donors: 0 ; (7)#Freely Rotating Bonds: 4 ; (8)Index of Refraction: 1.603 ; (9)Molar Refractivity: 63.96 cm3 ; (10)Molar Volume: 185.9 cm3 ; (11)Polarizability: 25.35×10-24 cm3 ; (12)Surface Tension: 48.8 dyne/cm ; (13)Enthalpy of Vaporization: 61.03 kJ/mol ; (14)Vapour Pressure: 7.99E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: [O-][N+](=O)c2ccc(OCc1ccccc1)cc2; InChI: InChI=1/C13H11NO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2. 1-Benzyloxy-4-nitrobenzene has many suppliers, such as Shenyang Yili'ao Pharmaceutical and Technology Co., Ltd..

Flash Point: 176°C
Safety Data