Skip to the beginning of the images gallery

2-Amino-5-cyanobenzoic acid - 96%, high purity , CAS No.99767-45-0

COA

Grade & Purity:

≥96%

Cas Number: 99767-45-0
Molecular Weight: 162.1
PubChem CID: 10057817
PubChem SID: 488196515

In stock

Item Number

A188963

Grouped product items
SKU	Size	Availability	Price
A188963-1g	1g	5	$114.90
A188963-250mg	250mg	4	$50.90
A188963-5g	5g	5	$482.90

Discover 2-Amino-5-cyanobenzoic acid by Aladdin Scientific in 96% for only $50.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Amino-5-cyanobenzoic acid \| 99767-45-0 \| MFCD20485816 \| Benzoic acid, 2-amino-5-cyano- \| 2-Amino-5-cyanobenzoicacid \| SCHEMBL634467 \| DTXSID00434821 \| HQNZNIJPAYTWJK-UHFFFAOYSA-N \| CL9197 \| AKOS016001712 \| CS-W005229 \| DS-3636 \| SB76085 \| SY253699 \| EN300-151690 \| Z1262514273
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzoic acids
Alternative Parents	Benzoic acids Benzoyl derivatives Benzonitriles Aniline and substituted anilines Vinylogous amides Amino acids Nitriles Carboxylic acids Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - Benzoic acid - Benzonitrile - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
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

Names and Identifiers

Pubchem Sid	488196515
IUPAC Name	2-amino-5-cyanobenzoic acid
INCHI	InChI=1S/C8H6N2O2/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3H,10H2,(H,11,12)
InChIKey	HQNZNIJPAYTWJK-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C#N)C(=O)O)N
Isomeric SMILES	C1=CC(=C(C=C1C#N)C(=O)O)N
Molecular Weight	162.1
Reaxy-Rn	6920062
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6920062&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.

6 results found

Lot Number	Certificate Type	Date	Item
K2214188	Certificate of Analysis	Jul 18, 2022	A188963
K2214186	Certificate of Analysis	Jul 18, 2022	A188963
K2214187	Certificate of Analysis	Jul 18, 2022	A188963
L2419125	Certificate of Analysis	Jul 18, 2022	A188963
C2308801	Certificate of Analysis	Jul 18, 2022	A188963
C2308784	Certificate of Analysis	Jul 18, 2022	A188963

Chemical and Physical Properties

Molecular Weight	162.150 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	162.043 Da
Monoisotopic Mass	162.043 Da
Topological Polar Surface Area	87.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	230.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration