炔丙基溴
TL;DR: 炔丙基溴 (CAS 106-96-7) is a chemical compound with molecular formula C3H3Br and molecular weight 117.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
炔丙基溴
3-bromoprop-1-yne
Also Known As: 3-Bromopropyne, PROPARGYL BROMIDE, 3-bromoprop-1-yne, 3-Bromo-1-propyne, Propynyl bromide
| Molecular Formula | C3H3Br |
|---|---|
| Molecular Weight | 117.94 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.94181 |
| Heavy Atoms | 4 |
| Complexity | 38.0 |
| Melting Point | -61.1 °C |
| Boiling Point | 190 to 90.0 °C at 760 mmHg |
| Density | 1.564 to 1.57 |
| Solubility | Soluble in ethanol, ether, benzene, carbon tetrachloride, and chloroform |
| Flash Point | 10.0 °C |
| Vapor Pressure | 108.0 [mmHg] |
| Refractive Index | = 1.4922 at 20 °C |
Chemical Identifiers
| CAS Number | 106-96-7 |
|---|---|
| SMILES | C#CCBr |
| InChIKey | YORCIIVHUBAYBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
炔丙基溴 (CAS 106-96-7), with molecular formula C3H3Br and molecular weight 117.94 g/mol. IUPAC: 3-bromoprop-1-yne.
Chemical Property Profile of 炔丙基溴
Property Insights of 炔丙基溴
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 炔丙基溴. With a topological polar surface area (TPSA) of 0.0 Ų, 炔丙基溴 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 炔丙基溴 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 炔丙基溴?
The CAS number of 炔丙基溴 is 106-96-7.
What is the molecular formula of 炔丙基溴?
The molecular formula of 炔丙基溴 is C3H3Br.
What is the molecular weight of 炔丙基溴?
The molecular weight of 炔丙基溴 is 117.94 g/mol.
Where can I buy 炔丙基溴?
You can request a quote for 炔丙基溴 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 炔丙基溴?
Yes, KEHONG BIO provides custom synthesis services for 炔丙基溴 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.