1,3-Butadiene, 1,1,2-trichloro-
TL;DR: 1,3-Butadiene, 1,1,2-trichloro- (CAS 2852-07-5) is a chemical compound with molecular formula C4H3Cl3 and molecular weight 155.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2-trichlorobuta-1,3-diene
Also Known As: Trichlorobutadiene, TCBD, Trichlorbutadien, 1,1,2-Trichlorobutadiene, 1,1,2-trichlorobuta-1,3-diene
| Molecular Formula | C4H3Cl3 |
|---|---|
| Molecular Weight | 155.93 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.93004 |
| Heavy Atoms | 7 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 2852-07-5 |
|---|---|
| SMILES | C=CC(=C(Cl)Cl)Cl |
| InChIKey | ZFBGKBGUMMBBMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butadiene, 1,1,2-trichloro- (CAS 2852-07-5), with molecular formula C4H3Cl3 and molecular weight 155.93 g/mol. IUPAC: 1,1,2-trichlorobuta-1,3-diene.
Chemical Property Profile of 1,3-Butadiene, 1,1,2-trichloro-
Property Insights of 1,3-Butadiene, 1,1,2-trichloro-
The XLogP value of 3.4 indicates that 1,3-Butadiene, 1,1,2-trichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Butadiene, 1,1,2-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiene, 1,1,2-trichloro- 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 1,3-Butadiene, 1,1,2-trichloro-?
The CAS number of 1,3-Butadiene, 1,1,2-trichloro- is 2852-07-5.
What is the molecular formula of 1,3-Butadiene, 1,1,2-trichloro-?
The molecular formula of 1,3-Butadiene, 1,1,2-trichloro- is C4H3Cl3.
What is the molecular weight of 1,3-Butadiene, 1,1,2-trichloro-?
The molecular weight of 1,3-Butadiene, 1,1,2-trichloro- is 155.93 g/mol.
Where can I buy 1,3-Butadiene, 1,1,2-trichloro-?
You can request a quote for 1,3-Butadiene, 1,1,2-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butadiene, 1,1,2-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butadiene, 1,1,2-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.