Cas no 16703-39-2 (3-(4-chlorophenyl)-3-methylbutan-2-one)
3-(4-Chlorophenyl)-3-methylbutan-2-one is a chlorinated aromatic ketone with potential applications in organic synthesis and pharmaceutical intermediates. Its structure, featuring a 4-chlorophenyl group and a methyl-substituted butanone backbone, offers reactivity suitable for further functionalization, such as nucleophilic additions or reductions. The compound’s stability and defined stereochemistry make it a valuable precursor in the synthesis of more complex molecules. Its chlorinated aromatic moiety may also contribute to enhanced lipophilicity, which can be advantageous in medicinal chemistry applications. The product is typically characterized by high purity and consistent performance, ensuring reliability in research and industrial processes.
16703-39-2 structure
Product Name:3-(4-chlorophenyl)-3-methylbutan-2-one
CAS No:16703-39-2
MF:C11H13ClO
MW:196.673322439194
MDL:MFCD01656231
CID:209451
PubChem ID:27998
Update Time:2025-11-02
3-(4-chlorophenyl)-3-methylbutan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone,3-(4-chlorophenyl)-3-methyl-
- 3-(4-chlorophenyl)-3-methyl-2-Butanone
- 3-(4-chlorophenyl)-3-methylbutan-2-one
- EN300-2006565
- 2-BUTANONE, 3-(p-CHLOROPHENYL)-3-METHYL-
- 2-Methyl-2-(p-chlorophenyl)-3-butanone
- SCHEMBL3413489
- DTXSID70168222
- FT-0754786
- 2-Butanone, 3-(4-chlorophenyl)-3-methyl-
- 3-(p-Chlorophenyl)-3-methyl-2-butanone
- 16703-39-2
- BVYURCFIUPFFDK-UHFFFAOYSA-N
- BRN 1868078
-
- MDL： MFCD01656231
- Inchi： 1S/C11H13ClO/c1-8(13)11(2,3)9-4-6-10(12)7-5-9/h4-7H,1-3H3
- InChI Key： BVYURCFIUPFFDK-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(C(C)=O)(C)C
Computed Properties
- Exact Mass: 196.06559
- Monoisotopic Mass: 196.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-(4-chlorophenyl)-3-methylbutan-2-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-2006565-0.05g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 0.05g |
$864.0 | 2023-09-16 | ||
| Enamine | EN300-2006565-0.1g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 0.1g |
$904.0 | 2023-09-16 | ||
| Enamine | EN300-2006565-0.25g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 0.25g |
$946.0 | 2023-09-16 | ||
| Enamine | EN300-2006565-0.5g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 0.5g |
$987.0 | 2023-09-16 | ||
| Enamine | EN300-2006565-1.0g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 1g |
$1029.0 | 2023-06-02 | ||
| Enamine | EN300-2006565-2.5g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 2.5g |
$2014.0 | 2023-09-16 | ||
| Enamine | EN300-2006565-5.0g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 5g |
$2981.0 | 2023-06-02 | ||
| Enamine | EN300-2006565-10.0g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 10g |
$4421.0 | 2023-06-02 | ||
| Enamine | EN300-2006565-1g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 1g |
$1029.0 | 2023-09-16 | ||
| Enamine | EN300-2006565-5g |
3-(4-chlorophenyl)-3-methylbutan-2-one |
16703-39-2 | 5g |
$2981.0 | 2023-09-16 |
3-(4-chlorophenyl)-3-methylbutan-2-one Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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