Methyl 5-Amino-2-nitrobenzoate - CAS 35998-96-0

Catalog:	BB022828
Product Name:	Methyl 5-Amino-2-nitrobenzoate
CAS:	35998-96-0
Synonyms:	5-amino-2-nitrobenzoic acid methyl ester; methyl 5-amino-2-nitrobenzoate

Technical Data

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Patents

Computed Properties

IUPAC Name:	methyl 5-amino-2-nitrobenzoate
Description:	Methyl 5-Amino-2-nitrobenzoate (CAS# 35998-96-0 ) is a useful research chemical.
Molecular Weight:	196.16
Molecular Formula:	C8H8N2O4
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)N)[N+](=O)[O-]
InChI:	InChI=1S/C8H8N2O4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,9H2,1H3
InChI Key:	HBQRFDGMJZUGQV-UHFFFAOYSA-N
Boiling Point:	394.466 °C at 760 mmHg
Density:	1.387 g/cm³
Appearance:	Solid
LogP:	2.06800

Publication Number	Title	Priority Date
CN-113336756-A	Preparation of benzoyl hydrazine-naphthalimide derivative and application of benzoyl hydrazine-naphthalimide derivative in detection of malondialdehyde	20210305
US-2017114029-A1	Treatment of chagas disease	20140611
WO-2015189595-A1	Treatment of chagas disease	20140611
EP-2297117-B1	Bicyclic heterocycle derivatives and use thereof as gpr119 modulators	20080519
EP-1614676-A1	Compound inhibiting in vivo phosphorus transport and medicine containing the same	20030327

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1