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| CAS No.: | 19578-68-8 |
|---|---|
| Name: | 4-BENZYLOXYIODOBENZENE |
| Article Data: | 37 |
| Molecular Structure: | |
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| Formula: | C13H11IO |
| Molecular Weight: | 310.134 |
| Synonyms: | Ether,benzyl p-iodophenyl (6CI,8CI);((4-Iodophenoxy)methyl)benzene;1-Benzyloxy-4-iodobenzene;1-Iodo-4-(phenylmethoxy)benzene;4-(Benzyloxy)iodobenzene;4-Benzyloxy-1-iodobenzene;4-Benzyloxyphenyl iodide;4-Iodophenyl phenylmethyl ether; |
| EINECS: | -0 |
| Density: | 1.581 g/cm3 |
| Melting Point: | 60-63 °C(lit.) |
| Boiling Point: | 360.071 °C at 760 mmHg |
| Flash Point: | 171.565 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 9.23000 |
| LogP: | 3.87020 |
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Specification
The Benzene,1-iodo-4-(phenylmethoxy)-, with the CAS registry number 19578-68-8, is also known as 1-(Benzyloxy)-4-iodobenzene. It belongs to the product categories of Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C13H11IO and molecular weight is 310.13031. Its IUPAC name is called 1-iodo-4-phenylmethoxybenzene.
Physical properties of Benzene,1-iodo-4-(phenylmethoxy)-: (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.05; (4)ACD/LogD (pH 7.4): 5.05; (5)ACD/BCF (pH 5.5): 4026.41; (6)ACD/BCF (pH 7.4): 4026.41; (7)ACD/KOC (pH 5.5): 13243.23; (8)ACD/KOC (pH 7.4): 13243.23; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.635; (12)Molar Refractivity: 70.32 cm3; (13)Molar Volume: 196.2 cm3; (14)Surface Tension: 46.2 dyne/cm; (15)Density: 1.58 g/cm3; (16)Flash Point: 171.6 °C; (17)Enthalpy of Vaporization: 58.19 kJ/mol; (18)Boiling Point: 360.1 °C at 760 mmHg; (19)Vapour Pressure: 4.72E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by benzyloxy-benzene. This reaction will need reagent benzyltrimethylammonium dichloroiodate(1-), ZnCl2 and solvent acetic acid. The reaction time is 2 hours. The yield is about 90%.
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Uses of Benzene,1-iodo-4-(phenylmethoxy)-: it can be used to produce 3-(4-Benzyloxyphenyl)-2,4-pentanedione at temperature of 100 °C. This reaction will need reagent CuI and solvent dimethylformamide with reaction time of 12 hours. The yield is about 54%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)I
(2)InChI: InChI=1S/C13H11IO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
(3)InChIKey: MPWFGAWFTAZWKZ-UHFFFAOYSA-N