Benzene, 1-bromo-2-iodo-4-methoxy- supplier

Name
4-BROMO-3-IODOANISOLE
EINECS
CAS No. 4897-68-1
Article Data31
CAS DataBase
Density 2.063 g/cm³
Solubility
Melting Point 124-126°C
Formula C₇H₆BrIO
Boiling Point 304.615 °C at 760 mmHg
Molecular Weight 312.933
Flash Point 138.026 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anisole,4-bromo-3-iodo- (7CI);1-Bromo-2-iodo-4-methoxybenzene;2-Iodo-4-methoxybromobenzene;4-Bromo-3-iodoanisole;
PSA 9.23000
LogP 3.06230

Benzene, 1-bromo-2-iodo-4-methoxy- 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 %.

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

Product Name

4-BROMO-3-IODOANISOLE

Benzene, 1-bromo-2-iodo-4-methoxy- Specification

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