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6-Nitro-2,3-xylidine - >98.0%(GC), high purity , CAS No.59146-96-2

COA

Grade & Purity:

≥98%(GC)

Cas Number: 59146-96-2
Molecular Weight: 166.18
Beilstein Registry Number: 121102
MDL number: MFCD00010148
PubChem CID: 597166
PubChem SID: 488190592

In stock

Item Number

N159026

Grouped product items
SKU	Size	Availability	Price
N159026-5g	5g	9	$15.90
N159026-25g	25g	8	$58.90
N159026-100g	100g	3	$212.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	(2,3-Dimethyl-6-nitrophenyl)amine \| EN300-16597 \| D85848 \| DTXSID60344472 \| InChI=1/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2H \| N0500 \| 9P-918 \| 4-Nitro-3-aminoxylol \| SY058390 \| MFCD00010148 \| SCHEMBL2656793 \| AMY28589 \| FT-0609704 \| 6-Nitro
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitrotoluenes o-Xylenes Nitroaromatic compounds Aniline and substituted anilines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Aniline or substituted anilines - Nitroaromatic compound - Xylene - O-xylene - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Amine - Organic zwitterion - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	488190592
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190592
IUPAC Name	2,3-dimethyl-6-nitroaniline
INCHI	InChI=1S/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2H3
InChIKey	YEFYPFWBLCARLC-UHFFFAOYSA-N
Smiles	CC1=C(C(=C(C=C1)[N+](=O)[O-])N)C
Isomeric SMILES	CC1=C(C(=C(C=C1)[N+](=O)[O-])N)C
Molecular Weight	166.18
Beilstein	121102
Reaxy-Rn	2641279
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2641279&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
I1920013	Certificate of Analysis	Jul 10, 2023	N159026
G2215731	Certificate of Analysis	May 26, 2022	N159026
G2215734	Certificate of Analysis	May 26, 2022	N159026
D2323852	Certificate of Analysis	May 26, 2022	N159026
G2215735	Certificate of Analysis	May 26, 2022	N159026
D2323843	Certificate of Analysis	Apr 08, 2021	N159026

Chemical and Physical Properties

Melt Point(°C)	116-120℃
Molecular Weight	166.180 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	166.074 Da
Monoisotopic Mass	166.074 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	178.000
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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