4-甲基溴苄
TL;DR: 4-甲基溴苄 (CAS 104-81-4) is a chemical compound with molecular formula C8H9Br and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基溴苄
1-(bromomethyl)-4-methylbenzene
Also Known As: 4-Methylbenzyl bromide, 1-(Bromomethyl)-4-methylbenzene, P-XYLYL BROMIDE, alpha-Bromo-p-xylene, p-Methylbenzyl bromide
| Molecular Formula | C8H9Br |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.98875 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
| Melting Point | 34 °C |
| Boiling Point | 220 °C |
| Density | 1.324 g/cu cm at 25 °C |
| Solubility | Insoluble in water |
| Flash Point | 98 °C (97.8 °C) - closed cup |
| Vapor Pressure | 0.09 [mmHg] |
Chemical Identifiers
| CAS Number | 104-81-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CBr |
| InChIKey | WZRKSPFYXUXINF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基溴苄 (CAS 104-81-4), with molecular formula C8H9Br and molecular weight 183.99 g/mol. IUPAC: 1-(bromomethyl)-4-methylbenzene.
Chemical Property Profile of 4-甲基溴苄
Property Insights of 4-甲基溴苄
The XLogP value of 3.0 indicates that 4-甲基溴苄 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-甲基溴苄 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基溴苄 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
Frequently Asked Questions
What is the CAS number of 4-甲基溴苄?
The CAS number of 4-甲基溴苄 is 104-81-4.
What is the molecular formula of 4-甲基溴苄?
The molecular formula of 4-甲基溴苄 is C8H9Br.
What is the molecular weight of 4-甲基溴苄?
The molecular weight of 4-甲基溴苄 is 183.99 g/mol.
Where can I buy 4-甲基溴苄?
You can request a quote for 4-甲基溴苄 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基溴苄?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基溴苄 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.