1-Chloro-3-pentanone - CAS 32830-97-0
Catalog: |
BB021430 |
Product Name: |
1-Chloro-3-pentanone |
CAS: |
32830-97-0 |
Synonyms: |
1-chloropentan-3-one |
IUPAC Name: | 1-chloropentan-3-one |
Description: | 1-Chloro-3-pentanone (CAS# 32830-97-0) is a useful building block for organic synthesis. |
Molecular Weight: | 120.58 |
Molecular Formula: | C5H9ClO |
Canonical SMILES: | CCC(=O)CCCl |
InChI: | InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3 |
InChI Key: | APNSUHRNUVUCIP-UHFFFAOYSA-N |
Boiling Point: | 167.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.042 g/cm3 |
Appearance: | Colorless to brown liquid |
Storage: | 2-8 °C |
LogP: | 1.59440 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19883042 | 20100114 | Products and mechanism of the reaction of chlorine atoms with 3-pentanone in 700-950 torr of N(2)/O(2) diluent at 297-515 K | The journal of physical chemistry. A |
Complexity: | 61.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.0341926 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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