Name: 2-Bromo-5-iodoanisole
SKU: 755027-18-0

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Basic Information

Molecular Structure:
CAS No.:	755027-18-0
Name:	2-Bromo-5-iodoanisole
Article Data:	10

Formula:	C₇H₆BrIO
Molecular Weight:	312.933
Synonyms:	1-Bromo-4-iodo-2-methoxybenzene;
Density:	2.062 g/cm³
Boiling Point:	293.7 °C at 760 mmHg
Flash Point:	131.4 °C
Hazard Symbols:	Xi
PSA:	9.23000
LogP:	3.06230

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Specification

The Benzene, 1-bromo-4-iodo-2-methoxy-, with the CAS registry number 755027-18-0, is also known as 2-Bromo-5-iodoanisole. It belongs to the product categories of Aromatic Halides (substituted); Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Iodine Compounds. This chemical's molecular formula is C₇H₆BrIO and molecular weight is 312.93. What's more, its IUPAC name is 1-Bromo-4-iodo-2-methoxybenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, this chemical must be kept in cold storage.

Physical properties about Benzene, 1-bromo-4-iodo-2-methoxy- are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Vapour Pressure: 0.00299 mmHg at 25 °C; (9)Index of Refraction: 1.623; (10)Molar Refractivity: 53.52 cm³; (11)Molar Volume: 151.6 cm³; (12)Polarizability: 21.22×10^-24 cm³; (13)Surface Tension: 43.7 dyne/cm; (14)Density: 2.062 g/cm³; (15)Flash Point: 131.4 °C; (16)Enthalpy of Vaporization: 51.19 kJ/mol; (17)Boiling Point: 293.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1Br)I
(2) InChI: InChI=1/C7H6BrIO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
(3) InChIKey: PIPWNWZBTWYPJB-UHFFFAOYAO