Cas no 110577-62-3 (Butanoic acid,2-bromo-3,3-dimethyl-, sodium salt (1:1))
110577-62-3 structure
Product Name:Butanoic acid,2-bromo-3,3-dimethyl-, sodium salt (1:1)
CAS No:110577-62-3
MF:C6H10BrNaO2
MW:217.036172389984
CID:234380
PubChem ID:23671765
Update Time:2025-04-19
Butanoic acid,2-bromo-3,3-dimethyl-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-bromo-3,3-dimethyl-, sodium salt (1:1)
- sodium,2-bromo-3,3-dimethylbutanoate
- DTXSID40911767
- sodium 2-bromo-3,3-dimethylbutanoate
- Butanoic acid, 2-bromo-3,3-dimethyl-, sodium salt
- 110577-62-3
-
- Inchi： 1S/C6H11BrO2.Na/c1-6(2,3)4(7)5(8)9;/h4H,1-3H3,(H,8,9);/q;+1/p-1
- InChI Key： ZWWBPWMELMMYRQ-UHFFFAOYSA-M
- SMILES： BrC(C(=O)[O-])C(C)(C)C.[Na+]
Computed Properties
- Exact Mass: 215.9762
- Monoisotopic Mass: 215.976
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 119
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.1A^2
Experimental Properties
- Boiling Point: 232.7°Cat760mmHg
- Flash Point: 94.6°C
- PSA: 40.13
Butanoic acid,2-bromo-3,3-dimethyl-, sodium salt (1:1) Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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