Cas no 1160574-31-1 (3-Chloro-2,5-dibromobenzonitrile)
3-Chloro-2,5-dibromobenzonitrile is a halogenated benzonitrile derivative with a molecular formula of C?H?Br?ClN. This compound is characterized by its high purity and stability, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of chloro and bromo substituents enhances its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling precise functionalization. Its nitrile group further expands its utility in cyclization and condensation reactions. The compound is typically supplied as a crystalline solid with well-defined melting points, ensuring consistent performance in synthetic applications. Proper handling under inert conditions is recommended due to its sensitivity to moisture and light.
1160574-31-1 structure
Product Name:3-Chloro-2,5-dibromobenzonitrile
CAS No:1160574-31-1
MF:C7H2Br2ClN
MW:295.35847902298
MDL:MFCD11846068
CID:4574273
Update Time:2025-06-07
3-Chloro-2,5-dibromobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,5-dibromo-3-chlorobenzonitrile
- 3-Chloro-2,5-dibromobenzonitrile
-
- MDL: MFCD11846068
- Inchi: 1S/C7H2Br2ClN/c8-5-1-4(3-11)7(9)6(10)2-5/h1-2H
- InChI Key: XCRQAJPVMUVALD-UHFFFAOYSA-N
- SMILES: C(#N)C1=CC(Br)=CC(Cl)=C1Br
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
3-Chloro-2,5-dibromobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Oakwood | 037748-5g |
3-Chloro-2,5-dibromobenzonitrile |
1160574-31-1 | 5g |
$1243.00 | 2023-09-16 |
3-Chloro-2,5-dibromobenzonitrile Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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