Cas no 73758-54-0 (2-chloro-2-methylbutanoic acid)
73758-54-0 structure
Product Name:2-chloro-2-methylbutanoic acid
CAS No:73758-54-0
MF:C5H9ClO2
MW:136.576761007309
CID:1762259
PubChem ID:52413
Update Time:2025-04-21
2-chloro-2-methylbutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-2-methylbutanoic acid
- 2-Chloro-2-methylbutyric acid
- 3-02-00-00688 (Beilstein Handbook Reference)
- 73758-54-0
- DTXSID10994663
- AKOS006376650
- SCHEMBL287796
- BRN 1747014
- BUTYRIC ACID, 2-CHLORO-2-METHYL-
-
- Inchi： 1S/C5H9ClO2/c1-3-5(2,6)4(7)8/h3H2,1-2H3,(H,7,8)
- InChI Key： NZZYVDKRZFWNRJ-UHFFFAOYSA-N
- SMILES： ClC(C(=O)O)(C)CC
Computed Properties
- Exact Mass: 136.0291072g/mol
- Monoisotopic Mass: 136.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 103
- 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: 1.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.1204
- Boiling Point: 181.12°C (rough estimate)
- Refractive Index: 1.4445
2-chloro-2-methylbutanoic acid Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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