Cas no 730971-45-6 (4-bromo-2-chloro-1-isocyanobenzene)
4-Bromo-2-chloro-1-isocyanobenzene is a halogenated aryl isocyanate compound commonly used as a versatile intermediate in organic synthesis and pharmaceutical applications. Its distinct reactive isocyanato group (–N=C=O) enables efficient participation in cycloaddition, polymerization, and nucleophilic addition reactions, making it valuable for constructing heterocyclic frameworks and functionalized aromatic systems. The bromo and chloro substituents enhance its utility in further functionalization via cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig). This compound exhibits high purity and stability under controlled conditions, ensuring reliable performance in research and industrial settings. Its structural features make it particularly useful in medicinal chemistry for the development of bioactive molecules and advanced materials. Proper handling is required due to its moisture sensitivity.
730971-45-6 structure
Product Name:4-bromo-2-chloro-1-isocyanobenzene
CAS No:730971-45-6
MF:C7H3BrClN
MW:216.462419748306
CID:977797
PubChem ID:2756895
Update Time:2025-06-09
4-bromo-2-chloro-1-isocyanobenzene Chemical and Physical Properties
Names and Identifiers
-
- 4-BROMO-2-CHLOROPHENYLISOCYANIDE
- 4-bromo-2-chloro-1-isocyanobenzene
- 4-bromo-2-chlorphenylisocyanide
- DTXSID50373615
- 730971-45-6
- EN300-1176933
- AKOS015959243
- SCHEMBL13303832
-
- MDL： MFCD04117617
- Inchi： 1S/C7H3BrClN/c1-10-7-3-2-5(8)4-6(7)9/h2-4H
- InChI Key： LGEHQADFMJPXKP-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=1)Cl)[N+]#[C-]
Computed Properties
- Exact Mass: 214.91400
- Monoisotopic Mass: 214.91374g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 162
- 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
- Topological Polar Surface Area: 4.4?2
Experimental Properties
- PSA: 0.00000
- LogP: 2.88400
4-bromo-2-chloro-1-isocyanobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 021242-1g |
4-Bromo-2-chlorophenylisocyanide |
730971-45-6 | 1g |
￡312.00 | 2022-03-01 | ||
| Enamine | EN300-1176933-1.0g |
4-bromo-2-chloro-1-isocyanobenzene |
730971-45-6 | 1g |
$0.0 | 2023-06-08 | ||
| Enamine | EN300-1176933-50mg |
4-bromo-2-chloro-1-isocyanobenzene |
730971-45-6 | 50mg |
$587.0 | 2023-10-03 | ||
| Enamine | EN300-1176933-100mg |
4-bromo-2-chloro-1-isocyanobenzene |
730971-45-6 | 100mg |
$615.0 | 2023-10-03 | ||
| Enamine | EN300-1176933-250mg |
4-bromo-2-chloro-1-isocyanobenzene |
730971-45-6 | 250mg |
$642.0 | 2023-10-03 | ||
| Enamine | EN300-1176933-500mg |
4-bromo-2-chloro-1-isocyanobenzene |
730971-45-6 | 500mg |
$671.0 | 2023-10-03 | ||
| Enamine | EN300-1176933-1000mg |
4-bromo-2-chloro-1-isocyanobenzene |
730971-45-6 | 1000mg |
$699.0 | 2023-10-03 | ||
| Enamine | EN300-1176933-2500mg |
4-bromo-2-chloro-1-isocyanobenzene |
730971-45-6 | 2500mg |
$1370.0 | 2023-10-03 | ||
| Enamine | EN300-1176933-5000mg |
4-bromo-2-chloro-1-isocyanobenzene |
730971-45-6 | 5000mg |
$2028.0 | 2023-10-03 | ||
| Enamine | EN300-1176933-10000mg |
4-bromo-2-chloro-1-isocyanobenzene |
730971-45-6 | 10000mg |
$3007.0 | 2023-10-03 |
4-bromo-2-chloro-1-isocyanobenzene Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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