3-Chloro-1-propanol
TL;DR: 3-Chloro-1-propanol (CAS 627-30-5) is a chemical compound with molecular formula C3H7ClO and molecular weight 94.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropropan-1-ol
Also Known As: 3-CHLORO-1-PROPANOL, 3-Chloropropan-1-ol, 3-Chloropropanol, Trimethylene chlorohydrin, 1-Propanol, 3-chloro-
| Molecular Formula | C3H7ClO |
|---|---|
| Molecular Weight | 94.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 94.01854 |
| Heavy Atoms | 5 |
| Complexity | 16.0 |
| Boiling Point | 320 to 165.0 °C at 760 mmHg |
| Density | 1.13 to 1.15 at 20.0 °C |
| Solubility | 50 to 100 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 73.3 °C |
| Vapor Pressure | 1.2 [mmHg] |
Chemical Identifiers
| CAS Number | 627-30-5 |
|---|---|
| SMILES | C(CO)CCl |
| InChIKey | LAMUXTNQCICZQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1-propanol (CAS 627-30-5), with molecular formula C3H7ClO and molecular weight 94.02 g/mol. IUPAC: 3-chloropropan-1-ol.
Chemical Property Profile of 3-Chloro-1-propanol
Property Insights of 3-Chloro-1-propanol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-propanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Chloro-1-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-propanol has 1 hydrogen bond donor(s) and 1 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 3-Chloro-1-propanol?
The CAS number of 3-Chloro-1-propanol is 627-30-5.
What is the molecular formula of 3-Chloro-1-propanol?
The molecular formula of 3-Chloro-1-propanol is C3H7ClO.
What is the molecular weight of 3-Chloro-1-propanol?
The molecular weight of 3-Chloro-1-propanol is 94.02 g/mol.
Where can I buy 3-Chloro-1-propanol?
You can request a quote for 3-Chloro-1-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-propanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.