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(2R)-2-Chlorobutane
[CAS 22157-31-9]

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CAS#: 22157-31-9
Product: (2R)-2-Chlorobutane
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Identification
Name (2R)-2-Chlorobutane
Molecular Structure CAS#: 22157-31-9, (2R)-2-Chlorobutane
Molecular Formula C4H9Cl
Molecular Weight 92.57
CAS Registry Number 22157-31-9
SMILES C[C@@H](Cl)CC
InChI 1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3/t4-/m1/s1
InChIKey BSPCSKHALVHRSR-SCSAIBSYSA-N
Properties
Density 0.871g/cm3 (Cal.)
Boiling point 69.227°C at 760 mmHg (Cal.)
Flash point -15°C (Cal.)
Refractive index 1.393 (Cal.)
References
(1) E. L. Willighagen, H. M. G. W. Denissen, R. Wehrens, and L. M. C. Buydens. On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors, J. Chem. Inf. Model., 46 (2), 487-494, 2006
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