Cas no 68611-20-1 (Octadecanoic acid,chlorinated)
Octadecanoic acid,chlorinated structure
Product Name:Octadecanoic acid,chlorinated
CAS No:68611-20-1
MF:C18H34Cl2O2
MW:353.367364406586
CID:507470
PubChem ID:111338
Update Time:2025-04-19
Octadecanoic acid,chlorinated Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid,chlorinated
- 8,13-dichlorooctadecanoic acid
- Stearic acid, chlorinated
- chlorinated octadecanoic acid
- SCHEMBL8837022
- EINECS 271-888-7
- 68611-20-1
-
- Inchi： 1S/C18H34Cl2O2/c1-2-3-6-11-16(19)13-9-10-14-17(20)12-7-4-5-8-15-18(21)22/h16-17H,2-15H2,1H3,(H,21,22)
- InChI Key： VLHYFAUKANKAAJ-UHFFFAOYSA-N
- SMILES： ClC(CCCCCCC(=O)O)CCCCC(CCCCC)Cl
Computed Properties
- Exact Mass: 352.193586
- Monoisotopic Mass: 352.193586
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3
- XLogP3: 7
Experimental Properties
- Density: 1.027
- Boiling Point: 469.7°Cat760mmHg
- Flash Point: 237.9°C
- Refractive Index: 1.473
Octadecanoic acid,chlorinated Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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