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About This Item
Linear Formula:
C2H5CH(CH3)CH2Cl
CAS Number:
Molecular Weight:
106.59
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
96%
refractive index
n20/D 1.412 (lit.)
bp
100 °C/750 mmHg (lit.)
density
0.886 g/mL at 25 °C (lit.)
SMILES string
CCC(C)CCl
InChI
1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChI key
IWAKWOFEHSYKSI-UHFFFAOYSA-N
General description
1-Chloro-2-methylbutane is a halogenated organic building block. It can be synthesized by employing 2-methylbutanol as starting reagent. Grignard reagent derived from (+)-1-chloro-2-methylbutane may be employed for the preparation of partially optically active (-)-alkylphenylcarbinols and partially optically active secondary carbinols. Infrared and Raman spectra of its optically active form (+)(S)-1-chloro-2-methylbutane in various phases (liquid, glass and crystal) have been evaluated.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Flam. Liq. 2
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
32.0 °F - closed cup
Flash Point(C)
0 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Infrared and Raman spectra and normal frequencies calculation of isomeric (+)(S)-1-chloro-2-methylbutane.
Schettino V and Benedetti E.
Spectrochimica Acta Part A: Molecular Spectroscopy, 34(3), 353-356 (1978)
Asymmetric Reductions. VII. the Action of the Grignard Reagent from (+)-1-chloro-2-methylbutane on a Series of Alkyl Phenyl Ketones1-3.
MacLeod R, et al.
Journal of the American Chemical Society, 82(4), 876-880 (1960)
Synthetic inhibitors of Alcohol dehydrogenase. 4-Substituted alkyl and cycloalkylpyrazoles.
Tolf BR, et al.
Acta Chemica Scandinavica, 33, 483-487 (1979)
Asymmetric Reductions. VI. The Action of the Grignard Reagent from (+)-1-Chloro-2-methylbutane on a Series of Alkyl t-Butyl Ketones1.
Foley WM, et al.
Journal of the American Chemical Society, 81(11), 2779-2784 (1959)
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