Cas no 15811-72-0 (2-Butanol, 1,1,1-trichloro-2-methyl-)
15811-72-0 structure
Product Name:2-Butanol, 1,1,1-trichloro-2-methyl-
CAS No:15811-72-0
MF:C5H9Cl3O
MW:191.483359098434
CID:1335711
PubChem ID:12595686
Update Time:2025-04-20
2-Butanol, 1,1,1-trichloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanol, 1,1,1-trichloro-2-methyl-
- 1,1,1-trichloro-2-methylbutan-2-ol
- DTXSID50503814
- SCHEMBL6356554
- 15811-72-0
- 2-trichloromethyl-2-butanol
-
- Inchi： 1S/C5H9Cl3O/c1-3-4(2,9)5(6,7)8/h9H,3H2,1-2H3
- InChI Key： ZMGGYAPMGGTJOJ-UHFFFAOYSA-N
- SMILES： ClC(C(C)(CC)O)(Cl)Cl
Computed Properties
- Exact Mass: 189.97207
- Monoisotopic Mass: 189.971898g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 98.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
2-Butanol, 1,1,1-trichloro-2-methyl- Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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