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473324

Sigma-Aldrich

1-Chloro-2-methylbutane

96%

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About This Item

Linear Formula:
C2H5CH(CH3)CH2Cl
CAS Number:
616-13-7
Molecular Weight:
106.59
EC Number:
210-466-9
MDL number:
MFCD00039366
UNSPSC Code:
12352100
PubChem Substance ID:
24870895
NACRES:
NA.22

Assay

96%

refractive index

n20/D 1.412 (lit.)

bp

100 °C/750 mmHg (lit.)

density

0.886 g/mL at 25 °C (lit.)

functional group

alkyl halide
chloro

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.

Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Statements

H225

Precautionary Statements

P210

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCM5508
MKBZ1638V
MKBL8165V
75197MJV
75197MJ

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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. 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)
Synthetic inhibitors of Alcohol dehydrogenase. 4-Substituted alkyl and cycloalkylpyrazoles.
Tolf BR, et al.
Acta Chemica Scandinavica, 33, 483-487 (1979)
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)

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