Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

424218

Sigma-Aldrich

3-Aminoisoxazole

95%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Empirical Formula (Hill Notation):
C3H4N2O
CAS Number:
1750-42-1
Molecular Weight:
84.08
MDL number:
MFCD00038814
UNSPSC Code:
12352100
PubChem Substance ID:
24866558
NACRES:
NA.22

Quality Level

100

Assay

95%

form

liquid

refractive index

n20/D 1.511 (lit.)

bp

226-228 °C (lit.)

density

1.138 g/mL at 25 °C (lit.)

SMILES string

Nc1ccon1

InChI

1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)

InChI key

RHFWLPWDOYJEAL-UHFFFAOYSA-N

General description

3-Aminoisoxazole (isoxazol-3-amine) is a 3-substituted isoxazole derivative. It is a structural isomer of 5-aminoisoxazole.

Application

3-Aminoisoxazole (isoxazol-3-amine) may be used in the following studies:
  • As a reagent in the synthesis of N-(4-(N-isoxazol-3-ylsulfamoyl)phenyl)acetamide.
  • As a starting material in the synthesis of N-(isoxazol-3-yl)-N′-(carbomethoxy)thiourea.
  • As a starting material in the synthesis of (Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxy-iminoacetic acid, a side-chain of the fourth generation of cephem antibiotics.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F

Flash Point(C)

113 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCG5424
BCBR9678V
MKAA3709V
BCBF0884V
MKAA3709

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Customers Also Viewed

Slide 1 of 1

1 of 1

2-Aminobenzimidazole 97%

Sigma-Aldrich

171778

2-Aminobenzimidazole

Kuniaki Tatsuta
Proceedings of the Japan Academy. Series B, Physical and biological sciences, 84(4), 87-106 (2008-10-23)
The first total synthesis and development of a variety of bioactive natural products have been accomplished by using carbohydrates as a chiral source. In addition, practically useful intermediates have been created, analogs of natural products have been prepared, their structure-activity
Tomasz Glinka et al.
Bioorganic & medicinal chemistry, 11(4), 591-600 (2003-01-23)
SAR studies in a series of related 3-(heteroarylthio)cephems determined that a relatively high chemical reactivity of the beta-lactam ring, modulated by electronic effects of substituents at C-3 and C-7, is necessary to achieve high in vitro activity against methicillin-resistant Staphylococcus
Synthesis of 3-and 5-amino-5-(3)-(pyrrol-2-yl) isoxazoles.
Lyubov'N S, et al.
Tetrahedron, 61(20), 4841-4849 (2005)
Martin J. Walsh et al.
Probe Reports from the NIH Molecular Libraries Program, 2011 Oct 18 (Updated 2013 Feb 25) (2013-09-13)
The protist

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service