1-BENZYLOXY-3-IODOBENZENE

This chemical is called Benzene,1-iodo-3-(phenylmethoxy)-, and its systematic name is 1-(Benzyloxy)-3-iodobenzene. With the molecular formula of C₁₃H₁₁IO, its molecular weight is 310.13. The CAS registry number of the chemical is 107623-21-2. Additionally, its product categories are Aromatic Halides (substituted); Phenetole; Anisoles, Alkyloxy Compounds & Phenylacetates; Iodine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. However, this chemical should be away from the light and oxides.

Other characteristics of Benzene,1-iodo-3-(phenylmethoxy)- can be summarised as followings: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.6; (4)ACD/LogD (pH 7.4): 4.6; (5)ACD/BCF (pH 5.5): 1851.55; (6)ACD/BCF (pH 7.4): 1851.55; (7)ACD/KOC (pH 5.5): 7594.51; (8)ACD/KOC (pH 7.4): 7594.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 70.32 cm³; (15)Molar Volume: 196.2 cm³; (16)Polarizability: 27.87×10^-24cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.58 g/cm³; (19)Flash Point: 177.4 °C; (20)Enthalpy of Vaporization: 59.22 kJ/mol; (21)Boiling Point: 369.7 °C at 760 mmHg; (22)Vapour Pressure: 2.49E-05 mmHg at 25°C.

Uses of this chemical: The Benzene,1-iodo-3-(phenylmethoxy)- could react with Rolipram to obtain the 1-(3-Benzyloxy-phenyl)-4-(3-cyclopentyloxy-4-methoxy-phenyl)-pyrrolidin-2-one. This reaction needs the reagents of Cu, K₂CO₃, and the solvent of Dimethylformamide. The yield is 50 %. In addition, this reaction should be taken for 22 hours at the temperature of 150 °C.



When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure: 
1.SMILES: Ic2cccc(OCc1ccccc1)c2
2.InChI: InChI=1/C13H11IO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
3.InChIKey: QMKHOPJXDQAHBG-UHFFFAOYAK
4.Std. InChI: InChI=1S/C13H11IO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
5.Std. InChIKey: QMKHOPJXDQAHBG-UHFFFAOYSA-N