Cas no 3023-46-9 (Benzoic acid,4-chloro-, 1,6-hexanediyl ester (9CI))
3023-46-9 structure
Product Name:Benzoic acid,4-chloro-, 1,6-hexanediyl ester (9CI)
CAS No:3023-46-9
MF:C20H20Cl2O4
MW:395.276404380798
CID:315131
PubChem ID:261670
Update Time:2025-04-19
Benzoic acid,4-chloro-, 1,6-hexanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-chloro-, 1,6-hexanediyl ester (9CI)
- 6-(4-chlorobenzoyl)oxyhexyl 4-chlorobenzoate
- AC1L65T5
- AC1Q67H5
- AG-K-10457
- AR-1J1787
- CTK4G4694
- hexane-1,6-diyl bis(4-chlorobenzoate)
- NSC94557
- NSC-94557
- 3023-46-9
- DTXSID50294114
- AKOS003442116
-
- Inchi： 1S/C20H20Cl2O4/c21-17-9-5-15(6-10-17)19(23)25-13-3-1-2-4-14-26-20(24)16-7-11-18(22)12-8-16/h5-12H,1-4,13-14H2
- InChI Key： RKWHZBYYRMEKMT-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(=O)OCCCCCCOC(C1C=CC(=CC=1)Cl)=O
Computed Properties
- Exact Mass: 394.07400
- Monoisotopic Mass: 394.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 11
- Complexity: 388
- 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: 7.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.25
- Boiling Point: 499°C at 760 mmHg
- Flash Point: 174.8°C
- Refractive Index: 1.56
- PSA: 52.60000
- LogP: 5.56760
Benzoic acid,4-chloro-, 1,6-hexanediyl ester (9CI) Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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