4-Chlorobutyl acetate - CAS 6962-92-1
Catalog: |
BB033900 |
Product Name: |
4-Chlorobutyl acetate |
CAS: |
6962-92-1 |
Synonyms: |
4-chlorobutyl acetate |
IUPAC Name: | 4-chlorobutyl acetate |
Description: | 4-Chlorobutyl acetate (CAS# 6962-92-1) is a reagent used in the synthesis of novel cyclic ADP ribose derivatives. Also used in the synthesis of a transient receptor potential melastatin 2 antagonist involved in insulin secretion. |
Molecular Weight: | 150.60 |
Molecular Formula: | C6H11ClO2 |
Canonical SMILES: | CC(=O)OCCCCCl |
InChI: | InChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3 |
InChI Key: | PYLDCZJUHYVOAF-UHFFFAOYSA-N |
Boiling Point: | 92 °C (22 mmHg) |
Density: | 1.072 g/cm3 |
Appearance: | Colorless clear liquid |
MDL: | MFCD00001013 |
LogP: | 1.56850 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111175413-A | Method for detecting content of 4-chlorobutanol acetate in sulfobutyl-beta-cyclodextrin sodium raw material or preparation thereof | 20200318 |
CN-111499547-A | Preparation method and application of alkyl ether sulfonyl fluoride compound | 20200303 |
CN-111410600-A | Preparation method of p-phenylbutoxy benzoic acid | 20200121 |
WO-2021059946-A1 | Optically anisotropic film, polarizing plate, image display device, composition, and compound | 20190925 |
WO-2021033200-A1 | A process for preparation of sultones | 20190821 |
Complexity: | 83.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0447573 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0447573 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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