-
Name
5-IODO-1,2,3-TRIMETHOXYBENZENE
- EINECS -0
- CAS No. 25245-29-8
- Article Data19
- CAS DataBase
- Density 1.602 g/cm3
- Solubility Insoluble in water.
- Melting Point 85-87°C
- Formula C9H11IO3
- Boiling Point 312.6 °C at 760 mmHg
- Molecular Weight 294.089
- Flash Point 142.9 °C
- Transport Information
- Appearance
- Safety 24/25
- Risk Codes 36/37/38-43
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms 1,2,3-Trimethoxy-5-iodobenzene;1-Iodo-3,4,5-trimethoxybenzene;3,4,5-Trimethoxyiodobenzene;3,4,5-Trimethoxyphenyl iodide;5-Iodo-1,2,3-trimethoxybenzene;NSC 169997;
- PSA 27.69000
- LogP 2.31700
Benzene, 5-iodo-1,2,3-trimethoxy- Specification
This chemical is called Benzene, 5-iodo-1,2,3-trimethoxy-, and its systematic name is 5-iodo-1,2,3-trimethoxybenzene. With the CAS registry number of 25245-29-8, its product category is Aromatic Halides (substituted). In addition, this chemical should be sealed in the cool and dry plcace, away from oxides and light. When you are using this chemical, please avoid contacting it with skin and eyes.
Other characteristics of the Benzene, 5-iodo-1,2,3-trimethoxy- can be summarised as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 59.19 cm3; (9)Molar Volume: 183.5 cm3; (10)Polarizability: 23.46×10-24cm3; (11)Surface Tension: 37 dyne/cm; (12)Density: 1.602 g/cm3; (13)Flash Point: 142.9 °C; (14)Enthalpy of Vaporization: 53.16 kJ/mol; (15)Boiling Point: 312.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00096 mmHg at 25°C.
Uses of this chemical: The Benzene, 5-iodo-1,2,3-trimethoxy- could react with 2,3-dihydro-furan, and obtain the 2-(3,4,5-trimethoxy-phenyl)-2,3-dihydro-furan. This reaction needs the reagent of n-Bu4NCl, KOAc, the solvent of dimethylformamide, and the catalyst of Pd(OAc)2, PPh3. The yield is 63 %.
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You can still convert the following datas into molecular structure:
1.SMILES: Ic1cc(OC)c(OC)c(OC)c1
2.InChI: InChI=1/C9H11IO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3
3.InChIKey: IWPMQXOVTMABLF-UHFFFAOYAE
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