2-Bromo-1-iodo-3-methoxybenzene

Basic Information

View in Editor

CAS Number

74128-84-0

Molecular Formula

C7H6BrIO

Molecular Weight

312.93 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

46-47 ºC (ethanol )

Density

2.062±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

View in Editor

COC1=C(C(=CC=C1)I)Br

InChI

InChI=1S/C7H6BrIO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3

InChIKey

BBVDXMFOLMWGNB-UHFFFAOYSA-N

LogP

3.0623000000000014

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

110

Synonyms & References

English

MFCD18391616
2-BROMO-3-IODOANISOLE
CS-0100432
AS-813/43501536
Benzene, 2-bromo-1-iodo-3-methoxy-
2-bromo-1-iodo-3-methoxybenzene
BBVDXMFOLMWGNB-UHFFFAOYSA-N
AKOS025290455
DTXSID90635284
iodobromoanisole
SS-4986
ZCA12884
SCHEMBL9025114
EN300-7161335
74128-84-0
Benzene,2-bromo-1-iodo-3-methoxy-
2-Bromo-3-iodoanisole
2-Bromo-1-iodo-3-methoxybenzene

MDL Number

MFCD18391616

FAQ

What are the physical and chemical properties of 2-Bromo-1-iodo-3-methoxybenzene (CAS: 74128-84-0)?

2-Bromo-1-iodo-3-methoxybenzene (CAS: 74128-84-0) is a solid with a crystalline form. The molecular weight is approximately 325.04 g/mol. It is slightly soluble in water but miscible with organic solvents like ethanol and acetone. Chemically, it is highly reactive due to the presence of bromine and iodine substituents, making it a versatile reagent in organic synthesis.

How is 2-Bromo-1-iodo-3-methoxybenzene (CAS: 74128-84-0) typically synthesized?

2-Bromo-1-iodo-3-methoxybenzene (CAS: 74128-84-0) is typically synthesized via aromatic bromination and iodination of 3-methoxybenzene. Commonly, the bromination is performed using N-bromosuccinimide (NBS) in the presence of a radical initiator. Subsequently, the brominated product is iodinated using N-iodosuccinimide (NIS) under appropriate conditions to yield the final compound.

What industries use 2-Bromo-1-iodo-3-methoxybenzene (CAS: 74128-84-0)?

2-Bromo-1-iodo-3-methoxybenzene (CAS: 74128-84-0) is used in the pharmaceutical industry for the synthesis of certain drugs, as a precursor in polymer chemistry for the development of advanced materials, and in the production of sensors and semiconductors due to its unique reactivity and chemical properties.

What precautions should be taken when handling 2-Bromo-1-iodo-3-methoxybenzene (CAS: 74128-84-0)?

When handling 2-Bromo-1-iodo-3-methoxybenzene (CAS: 74128-84-0), it is essential to follow strict safety protocols. Wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. Work in a well-ventilated area or a fume hood to minimize exposure. Store the compound in a dry, cool place away from direct sunlight. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.