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560278

Sigma-Aldrich

5-Aminoisatoic anhydride

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About This Item

Empirical Formula (Hill Notation):
C8H6N2O3
CAS Number:
169037-24-5
Molecular Weight:
178.14
MDL number:
MFCD00060534
UNSPSC Code:
12352100
PubChem Substance ID:
24879860
NACRES:
NA.22

form

solid

impurities

may contain ≤10% DMF

mp

>300 °C (lit.)

SMILES string

Nc1ccc2NC(=O)OC(=O)c2c1

InChI

1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12)

InChI key

QEQDLBKVHJXPJA-UHFFFAOYSA-N

Application

Reactant for:
  • β-cyclodextrin catalyzed synthesis of tryptanthrin and its analogs in water
  • Synthesis of amino-chloroquinolyl derivatives as antimalarial agents

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H301,H315,H317,H318,H335

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Synthesis and antimalarial activity of new 4-amino-7-chloroquinolyl amides, sulfonamides, ureas and thioureas.
Ekoue-Kovi K, et al.
Bioorganic & Medicinal Chemistry, 17(1), 270-283 (2009)

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