3-Chloropropyl acetate - CAS 628-09-1
Catalog: |
BB031818 |
Product Name: |
3-Chloropropyl acetate |
CAS: |
628-09-1 |
Synonyms: |
3-chloropropyl acetate |
IUPAC Name: | 3-chloropropyl acetate |
Description: | 3-Chloropropyl Acetate, can be used in reaction with strong base to produce trimethylene oxide. |
Molecular Weight: | 136.58 |
Molecular Formula: | C5H9ClO2 |
Canonical SMILES: | CC(=O)OCCCCl |
InChI: | InChI=1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3 |
InChI Key: | KPOHQIPNNIMWRL-UHFFFAOYSA-N |
Boiling Point: | 80-81 °C30 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.111 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00001000 |
LogP: | 1.17840 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111763168-A | Preparation method of silodosin | 20200624 |
WO-2021092053-A1 | Mcl-1 inhibitor macrocycle compounds for use in clinical management of conditions caused or mediated by senescent cells and for treating cancer | 20191108 |
WO-2021033200-A1 | A process for preparation of sultones | 20190821 |
CN-108586298-B | Preparation method of high-purity fudosteine | 20180604 |
EP-3668884-A1 | Duplex stabilizing fluorescence quenchers for nucleic acid probes | 20170817 |
Complexity: | 72.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.0291072 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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