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| CAS No.: | 4897-68-1 |
|---|---|
| Name: | 4-BROMO-3-IODOANISOLE |
| Molecular Structure: | |
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| Formula: | C7H6BrIO |
| Molecular Weight: | 312.933 |
| Synonyms: | Anisole,4-bromo-3-iodo- (7CI);1-Bromo-2-iodo-4-methoxybenzene;2-Iodo-4-methoxybromobenzene;4-Bromo-3-iodoanisole; |
| Density: | 2.063 g/cm3 |
| Melting Point: | 124-126°C |
| Boiling Point: | 304.615 °C at 760 mmHg |
| Flash Point: | 138.026 °C |
| PSA: | 9.23000 |
| LogP: | 3.06230 |
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Specification
This chemical is called Benzene, 1-bromo-2-iodo-4-methoxy-, and its systematic name is 1-Bromo-2-iodo-4-methoxybenzene. With the molecular formula of C7H6BrIO, its molecular weight is 312.93. The CAS registry number of this chemical is 4897-68-1. Additionally, its product categories are Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Iodine Compounds.
Other characteristics of the Benzene, 1-bromo-2-iodo-4-methoxy- can be summarised as followings: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 53.528 cm3; (9)Molar Volume: 151.693 cm3; (10)Polarizability: 21.22×10-24cm3; (11)Surface Tension: 43.713 dyne/cm; (12)Density: 2.063 g/cm3; (13)Flash Point: 138.026 °C; (14)Enthalpy of Vaporization: 52.322 kJ/mol; (15)Boiling Point: 304.615 °C at 760 mmHg; (16)Vapour Pressure: 0.002 mmHg at 25°C.
Uses of this chemical: The Benzene, 1-bromo-2-iodo-4-methoxy- could react with 1-ethynyl-4-methoxy-benzene, and obtain the C16H13BrO2. This reaction needs the reagents of Pd(PPh3)2Cl2, CuI, Et3N, and the solvent of dimethylformamide. The yield is 99 %.
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You can still convert the following datas into molecular structure:
1.SMILES: Ic1cc(OC)ccc1Br
2.InChI: InChI=1/C7H6BrIO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
3.InChIKey: IGPSHEKLLKFEOJ-UHFFFAOYAJ