Cas no 17999-54-1 (Propanedioyl dichloride, butyl-)
17999-54-1 structure
Product Name:Propanedioyl dichloride, butyl-
CAS No:17999-54-1
MF:C7H10Cl2O2
MW:197.059100627899
CID:1370859
PubChem ID:15618600
Update Time:2025-04-20
Propanedioyl dichloride, butyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioyl dichloride, butyl-
- 2-butylpropanedioyl dichloride
- n-Butylmalonylchlorid
- 17999-54-1
- Butylpropanedioyl dichloride
- SCHEMBL39527
- DTXSID00575809
-
- Inchi： 1S/C7H10Cl2O2/c1-2-3-4-5(6(8)10)7(9)11/h5H,2-4H2,1H3
- InChI Key： ITTFEPALADGOBD-UHFFFAOYSA-N
- SMILES： ClC(C(C(=O)Cl)CCCC)=O
Computed Properties
- Exact Mass: 866.45668
- Monoisotopic Mass: 196.0057849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 143
- 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: 3.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 210.62
Propanedioyl dichloride, butyl- Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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