1-Propene, 1-chloro-2-methyl-
TL;DR: 1-Propene, 1-chloro-2-methyl- (CAS 513-37-1) is a chemical compound with molecular formula C4H7Cl and molecular weight 90.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-methylprop-1-ene
Also Known As: 1-Chloro-2-methylpropene, Isocrotyl chloride, 1-CHLORO-2-METHYL-1-PROPENE, 1-chloro-2-methylprop-1-ene, Dimethylvinyl chloride
| Molecular Formula | C4H7Cl |
|---|---|
| Molecular Weight | 90.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 90.02363 |
| Heavy Atoms | 5 |
| Complexity | 41.0 |
| Boiling Point | 67.8 °C at 760 mmHg |
| Density | 0.9186 at 20.0 °C - Less dense than water; will float |
| Solubility | 1 to 5 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | -1.1 °C |
| Vapor Pressure | 172.4 mmHg at 25.5 °C ; 265.3 mmHg at 36.1 °C |
| Refractive Index | 0.9186 at 20 °C |
Chemical Identifiers
| CAS Number | 513-37-1 |
|---|---|
| SMILES | CC(=CCl)C |
| InChIKey | KWISWUFGPUHDRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propene, 1-chloro-2-methyl- (CAS 513-37-1), with molecular formula C4H7Cl and molecular weight 90.02 g/mol. IUPAC: 1-chloro-2-methylprop-1-ene.
Chemical Property Profile of 1-Propene, 1-chloro-2-methyl-
Property Insights of 1-Propene, 1-chloro-2-methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propene, 1-chloro-2-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Propene, 1-chloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propene, 1-chloro-2-methyl- 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 1-Propene, 1-chloro-2-methyl-?
The CAS number of 1-Propene, 1-chloro-2-methyl- is 513-37-1.
What is the molecular formula of 1-Propene, 1-chloro-2-methyl-?
The molecular formula of 1-Propene, 1-chloro-2-methyl- is C4H7Cl.
What is the molecular weight of 1-Propene, 1-chloro-2-methyl-?
The molecular weight of 1-Propene, 1-chloro-2-methyl- is 90.02 g/mol.
Where can I buy 1-Propene, 1-chloro-2-methyl-?
You can request a quote for 1-Propene, 1-chloro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propene, 1-chloro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propene, 1-chloro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.