Benzene, 2-bromo-1,4-dimethyl-
TL;DR: Benzene, 2-bromo-1,4-dimethyl- (CAS 553-94-6) is a chemical compound with molecular formula C8H9Br and molecular weight 183.98875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1,4-dimethylbenzene
Also Known As: 2-Bromo-p-xylene, 2,5-Dimethylbromobenzene, 2-Bromo-1,4-dimethylbenzene, Bromo-p-xylene, 1-Bromo-2,5-dimethylbenzene
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9Br |
| Molecular Weight | 183.98875 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.98875 Da |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Boiling Point | 210-220 °C |
| Density | 1.4 |
| SMILES | CC1=CC(=C(C=C1)C)Br |
| InChIKey | QXISTPDUYKNPLU-UHFFFAOYSA-N |
Product Description
Applications: Benzene, 2-bromo-1,4-dimethyl- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Benzene, 2-bromo-1,4-dimethyl- (CAS 553-94-6) has the molecular formula C8H9Br and a molecular weight of 183.99 g/mol. Reported properties include a density of 1.4 g/cm³. Synonyms include 2-Bromo-p-xylene and 2,5-Dimethylbromobenzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzene, 2-bromo-1,4-dimethyl-
Property Insights of Benzene, 2-bromo-1,4-dimethyl-
The XLogP value of 3.4 indicates that Benzene, 2-bromo-1,4-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 2-bromo-1,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-bromo-1,4-dimethyl- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzene, 2-bromo-1,4-dimethyl-?
The CAS number of Benzene, 2-bromo-1,4-dimethyl- is 553-94-6.
What is the molecular formula of Benzene, 2-bromo-1,4-dimethyl-?
The molecular formula of Benzene, 2-bromo-1,4-dimethyl- is C8H9Br.
What is the molecular weight of Benzene, 2-bromo-1,4-dimethyl-?
The molecular weight of Benzene, 2-bromo-1,4-dimethyl- is 183.98875 g/mol.
What are the applications of Benzene, 2-bromo-1,4-dimethyl-?
Benzene, 2-bromo-1,4-dimethyl- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy Benzene, 2-bromo-1,4-dimethyl-?
You can request a quote for Benzene, 2-bromo-1,4-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 2-bromo-1,4-dimethyl-?
Yes, CoreyChem provides custom synthesis services for Benzene, 2-bromo-1,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.