Cas no 594-52-5 (Butane, 2-bromo-2,3-dimethyl-)
Butane, 2-bromo-2,3-dimethyl- structure
Product Name:Butane, 2-bromo-2,3-dimethyl-
Butane, 2-bromo-2,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Butane, 2-bromo-2,3-dimethyl-
- 2-Bromo-2,3-dimethylbutane
- InChI=1/C6H13Br/c1-5(2)6(3,4)7/h5H,1-4H3
- NILGDLGIGRGWRL-UHFFFAOYSA-N
- 594-52-5
- SCHEMBL8643186
- NILGDLGIGRGWRL-UHFFFAOYSA-
- 2-Bromo-2,3-dimethylbutane #
- DTXSID30334769
-
- Inchi： 1S/C6H13Br/c1-5(2)6(3,4)7/h5H,1-4H3
- InChI Key： NILGDLGIGRGWRL-UHFFFAOYSA-N
- SMILES： BrC(C)(C)C(C)C
Computed Properties
- Exact Mass: 164.02009
- Monoisotopic Mass: 164.02006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 55.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.1804
- Melting Point: 25°C
- Boiling Point: 147.26°C (estimate)
- Refractive Index: 1.4507
- PSA: 0
Butane, 2-bromo-2,3-dimethyl- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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