Cas no 5441-01-0 (2,2-dimethylpropyl 2-bromopropanoate)
5441-01-0 structure
Product Name:2,2-dimethylpropyl 2-bromopropanoate
CAS No:5441-01-0
MF:C8H15BrO2
MW:223.107502222061
CID:941111
PubChem ID:228009
Update Time:2025-04-19
2,2-dimethylpropyl 2-bromopropanoate Chemical and Physical Properties
Names and Identifiers
-
- 2,2-dimethylpropyl 2-bromopropanoate
- 2-bromo-propionic acid neopentyl ester
- 2-Brom-propionsaeure-neopentylester
- AC1L5FWV
- AC1Q2455
- AG-K-84686
- AR-1K6809
- CTK5A0892
- Neopentyl 2-bromopropanoate
- NSC20554
- DTXSID20281152
- NSC-20554
- 2-Bromopropionic acid, 2,2-dimethylpropyl ester
- FSEZYMCROKYKBK-UHFFFAOYSA-N
- 5441-01-0
- Neopentyl 2-bromopropanoate #
-
- Inchi: 1S/C8H15BrO2/c1-6(9)7(10)11-5-8(2,3)4/h6H,5H2,1-4H3
- InChI Key: FSEZYMCROKYKBK-UHFFFAOYSA-N
- SMILES: BrC(C)C(=O)OCC(C)(C)C
Computed Properties
- Exact Mass: 222.02555
- Monoisotopic Mass: 222.025542
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 138
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 3
Experimental Properties
- Density: 1.255
- Boiling Point: 187.9°C at 760 mmHg
- Flash Point: 75.2°C
- Refractive Index: 1.458
- PSA: 26.3
- LogP: 2.35910
2,2-dimethylpropyl 2-bromopropanoate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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