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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
Beilstein:
605393
EC Number:
201-194-1
MDL number:
MFCD00000717
UNSPSC Code:
12352100
PubChem Substance ID:
24848392
NACRES:
NA.22

Key Documents

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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

SMILES string

CC(C)C(Cl)=O

InChI

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

InChI key

DGMOBVGABMBZSB-UHFFFAOYSA-N

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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

Signal Word

Danger

Hazard Statements

H225,H314

Hazard Classifications

Flam. Liq. 2 - Skin Corr. 1A

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

46.4 °F - closed cup

Flash Point(C)

8 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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
Tetrahedron Letters, 34, 211-211 (1993)
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
Bioorganic & Medicinal Chemistry Letters, 3, 1207-1207 (1993)
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