Cas no 13023-00-2 (Butanoic acid,2,2-dichloro-)
Butanoic acid,2,2-dichloro- structure
Product Name:Butanoic acid,2,2-dichloro-
CAS No:13023-00-2
MF:C4H6Cl2O2
MW:156.99523973465
CID:197989
PubChem ID:17290
Update Time:2025-04-19
Butanoic acid,2,2-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2,2-dichloro-
- 2,2-dichlorobutanoic acid
- 2,2-Dichlorobutyric acid
- OBLYWUBMZGHQDN-UHFFFAOYSA-N
- 7KMA34C9N2
- Butanoic acid, 2,2-dichloro-
- 2,2-Dichlorobutanoic acid #
- 13023-00-2
- DTXSID8021567
- Butyric acid, 2,2-dichloro-
- SCHEMBL1708069
- NS00123964
- J-800328
-
- Inchi： 1S/C4H6Cl2O2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8)
- InChI Key： OBLYWUBMZGHQDN-UHFFFAOYSA-N
- SMILES： ClC(C(=O)O)(CC)Cl
Computed Properties
- Exact Mass: 155.97458
- Monoisotopic Mass: 155.974485
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 100
- 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
- Topological Polar Surface Area: 37.3
- XLogP3: 1.9
Experimental Properties
- Density: 1.3890
- Boiling Point: 218.43°C (rough estimate)
- Flash Point: 85.7°C
- Refractive Index: 1.4456 (estimate)
- PSA: 37.3
Butanoic acid,2,2-dichloro- Related Literature
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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
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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