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3-Methyl-5-nitroquinoline - 97%, high purity , CAS No.103754-53-6

COA

Grade & Purity:

≥97%

Cas Number: 103754-53-6
Molecular Weight: 188.18
MDL number: MFCD00274169
PubChem CID: 282964

In stock

Item Number

M419728

Grouped product items
SKU	Size	Availability	Price
M419728-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$258.90
M419728-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$515.90
M419728-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,374.90

Basic Description

Synonyms	3-methyl-5-nitroquinoline \| 103754-53-6 \| NSC137125 \| SCHEMBL4716579 \| DTXSID90300465 \| MFCD00274169 \| AKOS022188816 \| NSC-137125 \| SB67772 \| AS-58420 \| CS-0161117 \| FT-0745733 \| D82788
Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Nitroquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Nitroquinolines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitroquinolines and derivatives
Alternative Parents	Nitroaromatic compounds Methylpyridines Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Nitroquinoline - Nitroaromatic compound - Methylpyridine - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - 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 - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline 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

IUPAC Name	3-methyl-5-nitroquinoline
INCHI	InChI=1S/C10H8N2O2/c1-7-5-8-9(11-6-7)3-2-4-10(8)12(13)14/h2-6H,1H3
InChIKey	YWIZXDYNJNYJGS-UHFFFAOYSA-N
Smiles	CC1=CC2=C(C=CC=C2[N+](=O)[O-])N=C1
Isomeric SMILES	CC1=CC2=C(C=CC=C2[N+](=O)[O-])N=C1
Molecular Weight	188.18
Reaxy-Rn	145078
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=145078&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	188.180 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	188.059 Da
Monoisotopic Mass	188.059 Da
Topological Polar Surface Area	58.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227.000
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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