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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:
79-30-1
Molecular Weight:
106.55
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848392
EC Number:
201-194-1
Beilstein/REAXYS Number:
605393
MDL number:
MFCD00000717
Assay:
98%
Form:
liquid

Key Documents

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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

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

Quality Level

200

Related Categories

General description

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

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.

pictograms

FlameCorrosion
GHS02,GHS05

signalword

Danger

hcodes

H225,H314

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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Certificates of Analysis (COA)

Lot/Batch Number
SDBB2666
STBK0627
STBH7045
STBH6293
STBD0871V

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Heteroatom Chem., 4, 39-39 (1993)
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)
Bioorganic & Medicinal Chemistry Letters, 3, 1207-1207 (1993)
Tetrahedron Letters, 34, 211-211 (1993)
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