Cas no 68412-03-3 (Octanoyl chloride,chloro derivs.)
68412-03-3 structure
Product Name:Octanoyl chloride,chloro derivs.
CAS No:68412-03-3
MF:C8H14Cl2O
MW:197.102160930634
CID:523431
PubChem ID:6455971
Update Time:2025-04-19
Octanoyl chloride,chloro derivs. Chemical and Physical Properties
Names and Identifiers
-
- Octanoyl chloride,chloro derivs.
- 8-chlorooctanoyl chloride
- 68412-03-3
- SCHEMBL4970742
- DTXSID70988008
- 99219-17-7
- 8-chlorooctanoic acid chloride
-
- Inchi： 1S/C8H14Cl2O/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2
- InChI Key： CUASUSAFYJAUDE-UHFFFAOYSA-N
- SMILES： ClCCCCCCCC(=O)Cl
Computed Properties
- Exact Mass: 196.04232
- Monoisotopic Mass: 196.04217
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 104
- 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: 2.1
- Topological Polar Surface Area: 17.1
Experimental Properties
- Density: 1.092
- Boiling Point: 243.9°C at 760 mmHg
- Flash Point: 98.7°C
- Refractive Index: 1.453
- PSA: 17.07
Octanoyl chloride,chloro derivs. Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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