Methyl 2-Amino-3-nitrobenzoate - CAS 57113-91-4

Name: Methyl 2-Amino-3-nitrobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029583
Product Name:	Methyl 2-Amino-3-nitrobenzoate
CAS:	57113-91-4
Synonyms:	2-amino-3-nitrobenzoic acid methyl ester; methyl 2-amino-3-nitrobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-amino-3-nitrobenzoate
Description:	An intermediate in the preparation of Candesartan.
Molecular Weight:	196.16
Molecular Formula:	C8H8N2O4
Canonical SMILES:	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N
InChI:	InChI=1S/C8H8N2O4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,9H2,1H3
InChI Key:	HDCLJQZLTMJECA-UHFFFAOYSA-N
Boiling Point:	340.1 °C at 760 mmHg
Density:	1.386 g/cm³
Appearance:	Yellow to brown solid
MDL:	MFCD02093531
LogP:	2.06800

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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GHS Hazard Statement:	H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111253271-A	Method for preparing 2-amino-3-nitrobenzoic acid methyl ester	20200211
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2021021986-A1	Heterobicyclic amides as inhibitors of cd38	20190731
WO-2021002473-A1	Nrf2-activating compound	20190703
WO-2020188405-A1	Benzimidazoles derivatives as anti-tuberculosis agents	20190320

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.04840674
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.04840674
Rotatable Bond Count:	2
Topological Polar Surface Area:	98.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5