Benzoic acid, 3-amino-2-nitro-, ethyl ester


Chemical Name: Benzoic acid, 3-amino-2-nitro-, ethyl ester
CAS Number: 193014-01-6
Product Number: AG00AM6F(AGN-PC-01U7V3)
Synonyms:
MDL No:
Molecular Formula: C9H10N2O4
Molecular Weight: 210.1867

Identification/Properties


Properties
MP:
48-49℃
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
210.189g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
210.064g/mol
Monoisotopic Mass:
210.064g/mol
Topological Polar Surface Area:
98.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
251
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Ethyl 3-amino-2-nitrobenzoate serves as a versatile building block in chemical synthesis, particularly in the realm of organic chemistry. This compound plays a crucial role in various synthetic pathways due to its functional groups and reactivity. Commonly employed as a precursor for the preparation of diverse pharmaceuticals and agrochemicals, Ethyl 3-amino-2-nitrobenzoate can undergo a variety of chemical transformations to yield intricate molecular structures. Its presence in the synthesis of complex organic molecules underscores its significance as a key intermediate in the creation of valuable compounds with widespread applications in medicine, agriculture, and materials science.