6-Nitroquinoline - ≥98% , CAS No.613-50-3

CAS: 613-50-3 Cat. No.: N122687 Molecular Weight: 174.16 Beilstein Registry Number: 136138 EC Number: 210-346-6
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
NSC 4141 | 5-20-07-00326 (Beilstein Handbook Reference) | InChI=1/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6 | UNII-7033583N3J | BBL034646 | BCP27373 | J-200080 | AC-5110 | AI3-08863 | CCRIS 456 | SR-01000473458-1 | A15691 | MFCD00006799 | AMY23304
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
N122687-1g
3

$9.90

$14.90
Save $5.00 (33.56%)
5g
N122687-5g
9

$10.90

$16.90
Save $6.00 (35.50%)
10g
N122687-10g
3

$13.90

$20.90
Save $7.00 (33.49%)
25g
N122687-25g
5

$33.90

$50.90
Save $17.00 (33.40%)
100g
N122687-100g
5

$107.90

$161.90
Save $54.00 (33.35%)
500g
N122687-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$444.90

$667.90
Save $223.00 (33.39%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
NSC 4141 | 5-20-07-00326 (Beilstein Handbook Reference) | InChI=1/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6 | UNII-7033583N3J | BBL034646 | BCP27373 | J-200080 | AC-5110 | AI3-08863 | CCRIS 456 | SR-01000473458-1 | A15691 | MFCD00006799 | AMY23304
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488181492
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181492
Canonical SmilesC1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1
IUPAC Name6-nitroquinoline
InChIKeySMHPLBXIVNQFBA-UHFFFAOYSA-N
INCHI1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
Isomeric SMILES C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1
WGK Germany 3
RTECS VC1900000
Molecular Weight 174.16
Beilstein 136138
Reaxy-Rn 136138
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136138&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassNitroquinolines and derivatives
Intermediate Tree Nodes Not available
Direct ParentNitroquinolines and derivatives
Alternative Parents Nitroaromatic compounds  Pyridines and derivatives  Benzenoids  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Nitroquinoline - Nitroaromatic compound - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
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.

12 results found

Lot NumberCertificate TypeDateItem
I1317055Certificate of AnalysisApr 09, 2025 N122687
F2406102Certificate of AnalysisMar 23, 2024 N122687
F2406197Certificate of AnalysisMar 23, 2024 N122687
F2406198Certificate of AnalysisMar 23, 2024 N122687
A2419520Certificate of AnalysisNov 24, 2023 N122687
A2419522Certificate of AnalysisNov 24, 2023 N122687
A2419523Certificate of AnalysisNov 24, 2023 N122687
A2419524Certificate of AnalysisNov 24, 2023 N122687
A2419525Certificate of AnalysisNov 24, 2023 N122687
D2323865Certificate of AnalysisAug 29, 2022 N122687
J2226581Certificate of AnalysisAug 29, 2022 N122687
J2226585Certificate of AnalysisAug 29, 2022 N122687

Show more ⌵

Chemical and Physical Properties
SolubilitySlightly soluble in water; Soluble in Benzene,Chloroform,Ethanol,Ether
Melt Point(°C)151-153°C
Molecular Weight174.160 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass174.043 Da
Monoisotopic Mass174.043 Da
Topological Polar Surface Area58.700 Ų
Heavy Atom Count13
Formal Charge0
Complexity202.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.