Cas no 57012-50-7 (1-Bromo-2-chloro-3-iodobenzene)

1-Bromo-2-chloro-3-iodobenzene is a halogenated aromatic compound with a well-defined substitution pattern, making it a valuable intermediate in synthetic organic chemistry. Its distinct arrangement of bromine, chlorine, and iodine substituents on the benzene ring enables selective functionalization, facilitating the synthesis of complex molecules in pharmaceuticals, agrochemicals, and materials science. The compound’s high purity and stability under standard conditions ensure reliable performance in cross-coupling reactions, such as Suzuki or Sonogashira couplings. Its versatility as a building block for further derivatization makes it particularly useful in research and industrial applications requiring precise control over molecular structure.

1-Bromo-2-chloro-3-iodobenzene structure

57012-50-7 structure

Product Name:1-Bromo-2-chloro-3-iodobenzene

CAS No:57012-50-7

MF:C₆H₃BrClI

MW:317.349492311478

MDL:MFCD18379733

CID:4655257

PubChem ID:51000075

Update Time:2025-05-28

1-Bromo-2-chloro-3-iodobenzene Chemical and Physical Properties

Names and Identifiers

- 1-bromo-2-chloro-3-iodobenzene
- 3-Bromo-2-chloroiodobenzene
- Z2696618754
- 57012-50-7
- DB-162334
- Z1269134811
- SCHEMBL1673166
- CS-16807
- EN300-245408
- AKOS027324463
- 3-bromo-2-chloro-1-iodobenzene
- SY204920
- MFCD18379733
- D70758
- CS-0104312
- 1-Bromo-2-chloro-3-iodobenzene
- MDL： MFCD18379733
- Inchi： 1S/C6H3BrClI/c7-4-2-1-3-5(9)6(4)8/h1-3H
- InChI Key： BLVSQFGBMQMIRS-UHFFFAOYSA-N
- SMILES： IC1C=CC=C(C=1Cl)Br

Computed Properties

Exact Mass: 315.81514 g/mol
Monoisotopic Mass: 315.81514 g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 9
Rotatable Bond Count: 0
Complexity: 99.1
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: 3.9
Topological Polar Surface Area: 0
Molecular Weight: 317.35

1-Bromo-2-chloro-3-iodobenzene Pricemore >>

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SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-OE196-100mg	1-Bromo-2-chloro-3-iodobenzene	57012-50-7	95+%	100mg	648CNY	2021-05-07
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SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-OE196-50mg	1-Bromo-2-chloro-3-iodobenzene	57012-50-7	95+%	50mg	229.0CNY	2021-07-14
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-OE196-200mg	1-Bromo-2-chloro-3-iodobenzene	57012-50-7	95+%	200mg	661.0CNY	2021-07-14
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