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CAS No.: | 1145-76-2 |
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Name: | 1-Benzyloxy-4-nitrobenzene |
Article Data: | 87 |
Molecular Structure: | |
Formula: | C13H11NO3 |
Molecular Weight: | 229.235 |
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; |
EINECS: | 214-545-9 |
Density: | 1.232g/cm3 |
Melting Point: | 105.0 to 109.0 °C |
Boiling Point: | 386.2°C at 760 mmHg |
Flash Point: | 176°C |
Hazard Symbols: | Xi |
PSA: | 55.05000 |
LogP: | 3.69700 |
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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..