Cas no 53460-68-7 (2,3-Butanediol, 1-chloro-)
2,3-Butanediol, 1-chloro- structure
Product Name:2,3-Butanediol, 1-chloro-
CAS No:53460-68-7
MF:C4H9ClO2
MW:124.566060781479
CID:357198
PubChem ID:12241271
Update Time:2025-04-19
2,3-Butanediol, 1-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Butanediol, 1-chloro-
- 1-chlorobutane-2,3-diol
- AKOS006383629
- SCHEMBL3819033
- DTXSID70482011
- 53460-68-7
-
- Inchi： 1S/C4H9ClO2/c1-3(6)4(7)2-5/h3-4,6-7H,2H2,1H3
- InChI Key： LVNNJZGDQVDSBE-UHFFFAOYSA-N
- SMILES： ClCC(C(C)O)O
Computed Properties
- Exact Mass: 124.02917
- Monoisotopic Mass: 124.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 49
- 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
- XLogP3: -0.1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
2,3-Butanediol, 1-chloro- Related Literature
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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