Cas no 828267-46-5 (Benzene, 2-bromo-1-ethenyl-4-methyl-)

Benzene, 2-bromo-1-ethenyl-4-methyl-, is a brominated aromatic compound featuring a vinyl substituent at the 1-position and a methyl group at the 4-position. This structure makes it a versatile intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki or Heck couplings, where the bromo and ethenyl groups serve as reactive sites. The methyl group enhances stability while allowing further functionalization. Its well-defined reactivity profile and compatibility with various catalysts make it valuable for constructing complex molecules in pharmaceuticals, agrochemicals, and materials science. The compound is typically handled under inert conditions due to its sensitivity to air and moisture.

Benzene, 2-bromo-1-ethenyl-4-methyl- structure

828267-46-5 structure

Product Name:Benzene, 2-bromo-1-ethenyl-4-methyl-

CAS No:828267-46-5

MF:C₉H₉Br

MW:197.071761846542

CID:681674

PubChem ID:11788832

Update Time:2025-08-10

Benzene, 2-bromo-1-ethenyl-4-methyl- Chemical and Physical Properties

Names and Identifiers

- Benzene, 2-bromo-1-ethenyl-4-methyl-
- 2-bromo-1-ethenyl-4-methylbenzene
- AKOS020776781
- EN300-705450
- SCHEMBL2141046
- DTXSID60472668
- 828267-46-5
- A1-05212
- Inchi： 1S/C9H9Br/c1-3-8-5-4-7(2)6-9(8)10/h3-6H,1H2,2H3
- InChI Key： YAPUBTBEBJZBSI-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)C=CC=1C=C

Computed Properties

Exact Mass: 195.98876g/mol
Monoisotopic Mass: 195.98876g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 10
Rotatable Bond Count: 1
Complexity: 120
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: 3.8
Topological Polar Surface Area: 0?2

Benzene, 2-bromo-1-ethenyl-4-methyl- Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.	2041793-1g	2-Bromo-4-methyl-1-vinylbenzene	828267-46-5	97%	1g	￥4950.00	2024-07-28
Enamine	EN300-705450-0.05g	2-bromo-1-ethenyl-4-methylbenzene	828267-46-5		0.05g	$647.0	2023-05-23
Enamine	EN300-705450-0.1g	2-bromo-1-ethenyl-4-methylbenzene	828267-46-5		0.1g	$678.0	2023-05-23
Enamine	EN300-705450-0.25g	2-bromo-1-ethenyl-4-methylbenzene	828267-46-5		0.25g	$708.0	2023-05-23
Enamine	EN300-705450-0.5g	2-bromo-1-ethenyl-4-methylbenzene	828267-46-5		0.5g	$739.0	2023-05-23
Enamine	EN300-705450-1.0g	2-bromo-1-ethenyl-4-methylbenzene	828267-46-5		1g	$770.0	2023-05-23
Enamine	EN300-705450-2.5g	2-bromo-1-ethenyl-4-methylbenzene	828267-46-5		2.5g	$1509.0	2023-05-23
Enamine	EN300-705450-5.0g	2-bromo-1-ethenyl-4-methylbenzene	828267-46-5		5g	$2235.0	2023-05-23
Enamine	EN300-705450-10.0g	2-bromo-1-ethenyl-4-methylbenzene	828267-46-5		10g	$3315.0	2023-05-23