溴化苄
TL;DR: 溴化苄 (CAS 100-39-0) is a chemical compound with molecular formula C7H7Br and molecular weight 169.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴化苄
bromomethylbenzene
Also Known As: BENZYL BROMIDE, alpha-Bromotoluene, (Bromomethyl)benzene, bromomethylbenzene, Bromophenylmethane
| Molecular Formula | C7H7Br |
|---|---|
| Molecular Weight | 169.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.97311 |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Melting Point | 27 to -1.1 °C |
| Boiling Point | 388 to 198.9 °C at 760 mmHg |
| Density | 1.441 at 22.0 °C |
| Solubility | Reaction (NTP, 1992) |
| Flash Point | 86.7 °C |
| Vapor Pressure | 1 mmHg at 32.2 °C |
| Refractive Index | 1.5752 at 20 °C |
| GHS Signal | Warning |
| H-Statements | H315, H319, H335 |
Chemical Identifiers
| CAS Number | 100-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CBr |
| InChIKey | AGEZXYOZHKGVCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴化苄 (CAS 100-39-0), with molecular formula C7H7Br and molecular weight 169.97 g/mol. IUPAC: bromomethylbenzene.
Chemical Property Profile of 溴化苄
Property Insights of 溴化苄
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴化苄. With a topological polar surface area (TPSA) of 0.0 Ų, 溴化苄 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴化苄 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 溴化苄?
The CAS number of 溴化苄 is 100-39-0.
What is the molecular formula of 溴化苄?
The molecular formula of 溴化苄 is C7H7Br.
What is the molecular weight of 溴化苄?
The molecular weight of 溴化苄 is 169.97 g/mol.
Where can I buy 溴化苄?
You can request a quote for 溴化苄 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴化苄?
Yes, KEHONG BIO provides custom synthesis services for 溴化苄 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.