Cas no 123568-21-8 (Benzene, 1,4-dibromo-2-iodo-5-methyl-)

Benzene, 1,4-dibromo-2-iodo-5-methyl-, is a halogenated aromatic compound featuring bromine and iodine substituents at the 1,4- and 2-positions, respectively, along with a methyl group at the 5-position. This structure enhances its utility as a versatile intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki and Sonogashira couplings, where its halogen diversity enables selective functionalization. The electron-withdrawing effects of the halogens and the steric influence of the methyl group contribute to controlled reactivity, making it valuable for constructing complex aromatic systems. Its well-defined substitution pattern ensures high regioselectivity in further derivatization, supporting applications in pharmaceuticals, agrochemicals, and materials science.

Benzene, 1,4-dibromo-2-iodo-5-methyl- structure

123568-21-8 structure

Product Name:Benzene, 1,4-dibromo-2-iodo-5-methyl-

CAS No:123568-21-8

MF:C₇H₅Br₂I

MW:375.82707285881

MDL:MFCD24115737

CID:3697693

PubChem ID:14493511

Update Time:2025-05-27

Benzene, 1,4-dibromo-2-iodo-5-methyl- Chemical and Physical Properties

Names and Identifiers

- Benzene, 1,4-dibromo-2-iodo-5-methyl-
- 2,5-Dichloro-4-iodotoluene
- 1,4-Dibromo-2-iodo-5-methylbenzene
- CS-0161845
- D81015
- MFCD24115737
- SCHEMBL19570526
- BS-14787
- 123568-21-8
- AKOS020057523
- MDL： MFCD24115737
- Inchi： 1S/C7H5Br2I/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
- InChI Key： YPEFVHLYFXQLMX-UHFFFAOYSA-N
- SMILES： IC1=CC(=C(C)C=C1Br)Br

Computed Properties

Exact Mass: 375.77822g/mol
Monoisotopic Mass: 373.78027g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 10
Rotatable Bond Count: 0
Complexity: 118
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 4.3
Topological Polar Surface Area: 0?2

Benzene, 1,4-dibromo-2-iodo-5-methyl- Pricemore >>

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SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-RJ321-200mg	Benzene, 1,4-dibromo-2-iodo-5-methyl-	123568-21-8	98%	200mg	338.0CNY	2021-07-15
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1232485-1g	1,4-Dibromo-2-iodo-5-methylbenzene	123568-21-8	98%	1g	￥373.00	2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1232485-5g	1,4-Dibromo-2-iodo-5-methylbenzene	123568-21-8	98%	5g	￥1923.00	2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	1232485-10g	1,4-Dibromo-2-iodo-5-methylbenzene	123568-21-8	98%	10g	￥3500.00	2024-08-09
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