Cas no 20871-94-7 (4-(1-bromoethyl)-1,2-dimethylbenzene)
4-(1-Bromoethyl)-1,2-dimethylbenzene is a brominated aromatic compound featuring a bromoethyl substituent on a dimethylbenzene backbone. This structure makes it a valuable intermediate in organic synthesis, particularly for introducing ethyl or functionalized ethyl groups via nucleophilic substitution or coupling reactions. The presence of bromine at the benzylic position enhances reactivity, enabling efficient transformations in pharmaceutical, agrochemical, and materials chemistry applications. Its well-defined molecular architecture ensures consistent performance in synthetic routes, while the dimethyl substitution pattern offers steric and electronic modulation for selective reactivity. The compound is typically handled under inert conditions due to its sensitivity to moisture and light.
20871-94-7 structure
Product Name:4-(1-bromoethyl)-1,2-dimethylbenzene
CAS No:20871-94-7
MF:C10H13Br
MW:213.114222288132
CID:1397034
PubChem ID:13597249
Update Time:2025-10-21
4-(1-bromoethyl)-1,2-dimethylbenzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-(1-bromoethyl)-1,2-dimethyl-
- 4-(1-bromoethyl)-1,2-dimethylBenzene
- SCHEMBL4076370
- DTXSID601289384
- DA-23026
- (+)-4-(1-Bromoethyl)-2-methyl-toluene
- AKOS009308589
- 1,2-Dimethyl-4-(1-bromoethyl)benzene
- J-500038
- 20871-94-7
- EN300-1259709
- 4-(1-bromoethyl)-1,2-dimethylbenzene
-
- Inchi： 1S/C10H13Br/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9H,1-3H3
- InChI Key： IVLRQCRVLIXRFV-UHFFFAOYSA-N
- SMILES： BrC(C)C1C=CC(C)=C(C)C=1
Computed Properties
- Exact Mass: 212.02009
- Monoisotopic Mass: 212.02006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
4-(1-bromoethyl)-1,2-dimethylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1259709-0.05g |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95% | 0.05g |
$76.0 | 2023-05-26 | |
| Enamine | EN300-1259709-0.1g |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95% | 0.1g |
$113.0 | 2023-05-26 | |
| Enamine | EN300-1259709-0.25g |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95% | 0.25g |
$162.0 | 2023-05-26 | |
| Enamine | EN300-1259709-0.5g |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95% | 0.5g |
$310.0 | 2023-05-26 | |
| Enamine | EN300-1259709-1.0g |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95% | 1g |
$414.0 | 2023-05-26 | |
| Enamine | EN300-1259709-2.5g |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95% | 2.5g |
$810.0 | 2023-05-26 | |
| Enamine | EN300-1259709-5.0g |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95% | 5g |
$1199.0 | 2023-05-26 | |
| Enamine | EN300-1259709-10.0g |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95% | 10g |
$1778.0 | 2023-05-26 | |
| Enamine | EN300-1259709-50mg |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95.0% | 50mg |
$76.0 | 2023-10-02 | |
| Enamine | EN300-1259709-100mg |
4-(1-bromoethyl)-1,2-dimethylbenzene |
20871-94-7 | 95.0% | 100mg |
$113.0 | 2023-10-02 |
4-(1-bromoethyl)-1,2-dimethylbenzene Related Literature
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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