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4-Amino-3-nitrobenzoic Acid - >95.0%(HPLC), high purity , CAS No.1588-83-6

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4-Amino-3-nitrobenzoic Acid - >95.0%(HPLC), high purity , CAS No.1588-83-6

COA

Grade & Purity:

≥95%(HPLC)

Cas Number: 1588-83-6
Molecular Weight: 182.14
Beilstein Registry Number: 14(4)1287
MDL number: MFCD00017009
PubChem CID: 74115
PubChem SID: 488184872

In stock

Item Number

A151466

Grouped product items
SKU	Size	Availability	Price
A151466-5g	5g	3	$14.90
A151466-25g	25g	3	$54.90
A151466-100g	100g	3	$132.90
A151466-250g	250g	2	$297.90
A151466-500g	500g	1	$393.90

View related series

Chemical Biology (1255) Peptide chemistry (314)

Basic Description

Synonyms	4-Amino-3-nitrobenzoic acid \| 4-Amino-3-nitro-benzoic acid \| 4-amino3-nitrobenzoic acid \| AS-8188 \| SMR000364241 \| 4-Amino-4/'-nitrobiphenyl \| 4-Hydroxybenzoic acid n-octyl ester \| 4-Carboxy-2-nitroaniline \| 4-Amino-3-nitrobenzoic acid, 97% \| NSC 20673 \|
Specifications & Purity	≥95%(HPLC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzoic acids and derivatives
Alternative Parents	Aminobenzoic acids Benzoic acids Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Primary amines Organic zwitterions Organooxygen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Amino acid - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

Discover Target: CGA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488184872
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184872
IUPAC Name	4-amino-3-nitrobenzoic acid
INCHI	InChI=1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11)
InChIKey	ZZNAYFWAXZJITH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N
WGK Germany	3
Molecular Weight	182.14
Beilstein	14(4)1287
Reaxy-Rn	645206
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=645206&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
B2223288	Certificate of Analysis	Jan 20, 2022	A151466
B2223298	Certificate of Analysis	Jan 20, 2022	A151466
B2223295	Certificate of Analysis	Jan 20, 2022	A151466
B2223290	Certificate of Analysis	Jan 20, 2022	A151466
E2319254	Certificate of Analysis	Jan 20, 2022	A151466
E2319252	Certificate of Analysis	Jan 20, 2022	A151466
B2223282	Certificate of Analysis	Jan 20, 2022	A151466

Chemical and Physical Properties

Melt Point(°C)	280 °C (dec.) (lit.)
Molecular Weight	182.130 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	182.033 Da
Monoisotopic Mass	182.033 Da
Topological Polar Surface Area	109.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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