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N-Methyl-4-nitro-o-toluidine - >97.0%(GC), high purity , CAS No.10439-77-7

COA

Grade & Purity:

≥97%(GC)

Cas Number: 10439-77-7
Molecular Weight: 166.18
MDL number: MFCD00059083
PubChem CID: 25282
PubChem SID: 488182959

In stock

Item Number

N159393

Grouped product items
SKU	Size	Availability	Price
N159393-250mg	250mg	3	$36.90
N159393-1g	1g	3	$111.90
N159393-5g	5g	3	$429.90

View related series

Organic nonlinear (NLO) optical materials (13)

Basic Description

Synonyms	MFCD00059083 \| N,2-DIMETHYL-4-NITROBENZENAMINE \| N,2-dimethyl-4-nitro-benzenamine \| Benzenamine,N,2-dimethyl-4-nitro- \| Methyl-(2-methyl-4-nitrophenyl)amine \| A800976 \| CS-0187551 \| SCHEMBL5177187 \| EN300-1232073 \| FT-0636706 \| N,2-Dimethyl-4-nitroaniline
Specifications & Purity	≥97%(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 Phenylalkylamines Nitroaromatic compounds Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Aniline or substituted anilines - Aminotoluene - Phenylalkylamine - Secondary aliphatic/aromatic amine - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - 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	488182959
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182959
IUPAC Name	N,2-dimethyl-4-nitroaniline
INCHI	InChI=1S/C8H10N2O2/c1-6-5-7(10(11)12)3-4-8(6)9-2/h3-5,9H,1-2H3
InChIKey	NJYYBTRBCMPYCJ-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)[N+](=O)[O-])NC
Isomeric SMILES	CC1=C(C=CC(=C1)[N+](=O)[O-])NC
Molecular Weight	166.18
Reaxy-Rn	2690890
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690890&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
A2331863	Certificate of Analysis	Oct 09, 2022	N159393
A2331883	Certificate of Analysis	Oct 09, 2022	N159393
A2331850	Certificate of Analysis	Oct 09, 2022	N159393

Chemical and Physical Properties

Melt Point(°C)	138 °C
Molecular Weight	166.180 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	166.074 Da
Monoisotopic Mass	166.074 Da
Topological Polar Surface Area	57.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167.000
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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