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Merck
CN

139122

Isobutyryl chloride

98%

Synonym(s):

2-Methylpropanoic acid chloride, 2-Methylpropionyl chloride, 2-Propylcarbonyl chloride, Chloro isopropyl ketone, Isobutyroyl chloride, Isopropanecarbonyl chloride

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About This Item

Linear Formula:
(CH3)2CHCOCl
CAS Number:
Molecular Weight:
106.55
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
201-194-1
Beilstein/REAXYS Number:
605393
MDL number:
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Product Name

Isobutyryl chloride, 98%

InChI key

DGMOBVGABMBZSB-UHFFFAOYSA-N

InChI

1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3

SMILES string

CC(C)C(Cl)=O

vapor pressure

0.07 mmHg ( 20 °C)

assay

98%

form

liquid

refractive index

n20/D 1.407 (lit.)

bp

91-93 °C (lit.)

mp

−90 °C (lit.)

density

1.017 g/mL at 25 °C (lit.)

functional group

acyl chloride

Quality Level

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Application

Isobutyryl chloride was used in the synthesis of fully isobutyramide terminated hyperbranched polyethylenimines. It was used in the separation and identification of shikonin and its ester derivatives in the root epidermis of Echium italicum L. It was employed as versatile acylating agent for the ketimine derivatives of α-amino esters, nucleosides and pyrroles.
Versatile acylating agent for the ketimine derivatives of α-amino esters, nucleosides, and pyrroles.

General description

Isobutyryl chloride reacts with guanine to yield N(2)-isobutyrylguanine.

pictograms

FlameCorrosion

signalword

Danger

hcodes

Hazard Classifications

Flam. Liq. 2 - Skin Corr. 1A

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

46.4 °F - closed cup

flash_point_c

8 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Tetrahedron Letters, 34, 211-211 (1993)
Mathilde Ménard et al.
Biochimica et biophysica acta. General subjects, 1863(2), 332-341 (2018-11-06)
Human serum albumin (HSA) nanoparticles emerge as promising carriers for drug delivery. Among challenges, one important issue is the design of HSA nanoparticles with a low mean size of ca. 50 nm and having a high drug payload. The original strategy
Lijing Yang et al.
Magnetic resonance in chemistry : MRC, 51(1), 60-64 (2012-11-21)
N(2)-isobutyrylguanine was prepared by treatment of guanine with isobutyryl chloride. Two tautomers, 1,7-dihydro-2-(isobutyroyl)amino-6H-purin-6-one and 1,9-dihydro-2-(isobutyroyl)amino-6H-purin-6-one, were identified in almost 1:1 ratio in dichloromethane-dimethyl sulfoxide (1:1 v/v) by NMR spectroscopy. By using the selective-inversion experiments, enthalpy, entropy, and free energy for activation
Thermoresponsive hyperbranched polyethylenimines with isobutyramide functional groups.
Liu H, et al.
Journal of Polymer Science Part A: Polymer Chemistry, 45(6), 1177-1184 (2007)
Heteroatom Chem., 4, 39-39 (1993)

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