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473324

1-Chloro-2-methylbutane

Name: 1-Chloro-2-methylbutane
Brand: ALDRICH

96%

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About This Item

Linear Formula:

C₂H₅CH(CH₃)CH₂Cl

CAS Number:

616-13-7

Molecular Weight:

106.59

NACRES:

NA.22

PubChem Substance ID:

24870895

UNSPSC Code:

12352100

EC Number:

210-466-9

MDL number:

MFCD00039366

Assay:

96%

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Properties

Quality Level

100

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

Description

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

GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

32.0 °F - closed cup

flash_point_c

0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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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)

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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Global Trade Item Number

SKU	GTIN
473324-50ML	04061832360874