4'-Chloropropiophenone - CAS 6285-05-8
Catalog: |
BB031844 |
Product Name: |
4'-Chloropropiophenone |
CAS: |
6285-05-8 |
Synonyms: |
1-(4-chlorophenyl)propan-1-one |
IUPAC Name: | 1-(4-chlorophenyl)propan-1-one |
Description: | 4'-Chloropropiophenone (CAS# 6285-05-8 ) is a useful research chemical. |
Molecular Weight: | 168.62 |
Molecular Formula: | C9H9ClO |
Canonical SMILES: | CCC(=O)C1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
InChI Key: | ADCYRBXQAJXJTD-UHFFFAOYSA-N |
Boiling Point: | 95-97 °C (1 mmHg) |
Density: | 1.128 g/cm3 |
Appearance: | White crystals |
MDL: | MFCD00000626 |
LogP: | 2.93270 |
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-112047797-A | Method for preparing alpha-alkyl substituted ketone compound | 20200917 |
CN-212605364-U | Conveyer is used in processing of p-chlorophenylacetone | 20200731 |
CN-212621648-U | P chloropropiophenone processing hydrolysate sampling device | 20200731 |
CN-212819433-U | Improved washing device for producing p-chlorophenylacetone | 20200731 |
CN-212819768-U | P chloropropiophenone processing is with throwing material device | 20200731 |
PMID | Publication Date | Title | Journal |
22022995 | 20111121 | Congested ferrocenyl polyphosphanes bearing electron-donating or electron-withdrawing phosphanyl groups: assessment of metallocene conformation from NMR spin couplings and use in palladium-catalyzed chloroarenes activation | Inorganic chemistry |
19489624 | 20090610 | Global antifungal profile optimization of chlorophenyl derivatives against Botrytis cinerea and Colletotrichum gloeosporioides | Journal of agricultural and food chemistry |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0341926 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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