2-(4-Chlorobutyl)-1,3-dioxolane - CAS 118336-86-0
Catalog: |
BB004087 |
Product Name: |
2-(4-Chlorobutyl)-1,3-dioxolane |
CAS: |
118336-86-0 |
Synonyms: |
2-(4-chlorobutyl)-1,3-dioxolane |
IUPAC Name: | 2-(4-chlorobutyl)-1,3-dioxolane |
Description: | 2-(4-Chlorobutyl)-1,3-dioxolane (CAS# 118336-86-0 ) is a useful research chemical. |
Molecular Weight: | 164.63 |
Molecular Formula: | C7H13ClO2 |
Canonical SMILES: | C1COC(O1)CCCCCl |
InChI: | InChI=1S/C7H13ClO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6H2 |
InChI Key: | GFTDGDAKGDUYGO-UHFFFAOYSA-N |
Boiling Point: | 56-58 °C0.1 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.109 g/mL at 20 °C(lit.) |
Appearance: | Colorless clear liquid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00043136 |
LogP: | 1.76840 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2018125821-A1 | Tau-protein targeting protacs and associated methods of use | 20161101 |
EP-3383867-A1 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | 20151203 |
US-2017158694-A1 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | 20151203 |
US-9932338-B2 | Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity | 20151203 |
WO-2017093208-A1 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | 20151203 |
Complexity: | 81.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0604073 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0604073 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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