2-Amino-3-nitrobenzoic Acid - CAS 606-18-8

Catalog:	BB030748
Product Name:	2-Amino-3-nitrobenzoic Acid
CAS:	606-18-8
Synonyms:	2-amino-3-nitrobenzoic acid; 2-amino-3-nitrobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-3-nitrobenzoic acid
Description:	2-Amino-3-nitrobenzoic Acid (CAS# 606-18-8) is a compound useful in organic synthesis.
Molecular Weight:	182.13
Molecular Formula:	C7H6N2O4
Canonical SMILES:	C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O
InChI:	InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)
InChI Key:	JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Boiling Point:	390.4 °C at 760 mmHg
Density:	1.568 g/cm³
MDL:	MFCD00024261
LogP:	1.97960

Publication Number	Title	Priority Date
CN-112028811-A	4-iodo-indole compound and preparation method thereof	20200527
WO-2021211784-A2	Method of treating coronavirus infections	20200415
CN-111253271-A	Method for preparing 2-amino-3-nitrobenzoic acid methyl ester	20200211
WO-2021155194-A1	Therapeutic peptides	20200129
WO-2021097256-A1	Cxcr4 antagonist peptides	20191114

PMID	Publication Date	Title	Journal
22347091	20120201	2-Amino-3-nitro-benzoic acid	Acta crystallographica. Section E, Structure reports online
21754293	20110501	(2-Amino-3-nitro-benzoato-κO)triphenyl-tin(IV)	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H302 (89.13%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.03275668
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	182.03275668
Rotatable Bond Count:	1
Topological Polar Surface Area:	109 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1