Cas no 71195-77-2 (propan-2-yl 6-chlorohexanoate)
Propan-2-yl 6-chlorohexanoate is a chloro-functionalized ester compound with applications in organic synthesis and specialty chemical manufacturing. Its structure combines a six-carbon chloroalkanoate chain with an isopropanol ester group, offering reactivity at both the chloro and ester functionalities. The compound serves as a versatile intermediate for further derivatization, enabling the introduction of hexanoate or chlorinated segments into target molecules. Its moderate volatility and stability under controlled conditions make it suitable for controlled reactions. The presence of the chloro group allows for nucleophilic substitution, while the ester moiety can undergo hydrolysis or transesterification, providing flexibility in synthetic pathways.
propan-2-yl 6-chlorohexanoate structure
Product Name:propan-2-yl 6-chlorohexanoate
CAS No:71195-77-2
MF:C9H17ClO2
MW:192.683082342148
CID:574627
PubChem ID:256824
Update Time:2025-11-02
propan-2-yl 6-chlorohexanoate Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,6-chloro-, 1-methylethyl ester
- AKOS024332407
- NSC84229
- 71195-77-2
- propan-2-yl 6-chlorohexanoate
- isopropyl 6-chlorohexanoate
- SCHEMBL1365864
- NSC-84229
- MBBMZGJDDXCJMA-UHFFFAOYSA-N
- iso-Propyl 6-Chlorohexanoate
- DTXSID20292627
-
- Inchi： 1S/C9H17ClO2/c1-8(2)12-9(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3
- InChI Key： MBBMZGJDDXCJMA-UHFFFAOYSA-N
- SMILES： ClCCCCCC(=O)OC(C)C
Computed Properties
- Exact Mass: 192.09181
- Monoisotopic Mass: 192.0917075g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 124
- 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: 2.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
propan-2-yl 6-chlorohexanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B526053-10mg |
propan-2-yl 6-chlorohexanoate |
71195-77-2 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B526053-50mg |
propan-2-yl 6-chlorohexanoate |
71195-77-2 | 50mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B526053-100mg |
propan-2-yl 6-chlorohexanoate |
71195-77-2 | 100mg |
$ 115.00 | 2022-06-07 |
propan-2-yl 6-chlorohexanoate Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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