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4-Methoxy-5-methyl-2-nitroaniline - 98%, high purity , CAS No.55730-09-1
Basic Description
Synonyms
4-Methoxy-5-methyl-2-nitroaniline | 55730-09-1 | 2-Nitro-4-methoxy-5-methylaniline | CL8406 | Benzenamine, 4-methoxy-5-methyl-2-nitro- | SCHEMBL5952815 | DTXSID00504316 | MFCD00031126 | AKOS015890468 | AM84083 | 4-methoxy-5-methyl-2-nitro-phenylamine | DS-17963 | CS-0097937 | FT-0
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Aminophenyl ethers Nitrotoluenes Methoxyanilines Phenoxy compounds Aminotoluenes Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Aminophenyl ether - Nitrotoluene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Aminotoluene - Aniline or substituted anilines - Alkyl aryl ether - Toluene - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic salt - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
4-methoxy-5-methyl-2-nitroaniline
INCHI
InChI=1S/C8H10N2O3/c1-5-3-6(9)7(10(11)12)4-8(5)13-2/h3-4H,9H2,1-2H3
InChIKey
QRQYCJHQHGNOPP-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1OC)[N+](=O)[O-])N
Isomeric SMILES
CC1=CC(=C(C=C1OC)[N+](=O)[O-])N
Molecular Weight
182.18
Reaxy-Rn
3530696
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3530696&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
182.180 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
182.069 Da
Monoisotopic Mass
182.069 Da
Topological Polar Surface Area
81.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
192.000
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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