2-Chlorocyclopentanone - CAS 694-28-0
Catalog: |
BB033820 |
Product Name: |
2-Chlorocyclopentanone |
CAS: |
694-28-0 |
Synonyms: |
2-chlorocyclopentan-1-one |
IUPAC Name: | 2-chlorocyclopentan-1-one |
Description: | 2-Chlorocyclopentanone (CAS# 694-28-0) is a useful research chemical. |
Molecular Weight: | 118.56 |
Molecular Formula: | C5H7ClO |
Canonical SMILES: | C1CC(C(=O)C1)Cl |
InChI: | InChI=1S/C5H7ClO/c6-4-2-1-3-5(4)7/h4H,1-3H2 |
InChI Key: | AXDZFGRFZOQVBV-UHFFFAOYSA-N |
Boiling Point: | 72-74 °C (12 mmHg) |
Purity: | 96 % |
Density: | 1.185 g/cm3 |
Appearance: | Clear yellow to yellow-orange liquid |
Storage: | 2-8 °C |
MDL: | MFCD00001410 |
LogP: | 1.34680 |
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-110256223-A | A method of 1- (1- chlorine cyclopropyl) ethyl ketone is prepared using micro passage reaction | 20190520 |
WO-2020130137-A1 | Method for producing alkane iodide derivative | 20181221 |
WO-2020117942-A1 | Choline metabolism inhibitors | 20181204 |
CN-111295372-A | Nitroxoline prodrugs and uses thereof | 20180929 |
WO-2020063824-A1 | Nitroxoline prodrug and use thereof | 20180929 |
PMID | Publication Date | Title | Journal |
19201255 | 20090601 | Conformational analysis of 2-halocyclopentanones by NMR and IR spectroscopies and theoretical calculations | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 90.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.0185425 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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