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7-Nitroindole - 99%, high purity , CAS No.6960-42-5

COA

Grade & Purity:

≥99%

Cas Number: 6960-42-5
Molecular Weight: 162.15
Beilstein Registry Number: 20(5)7,44
MDL number: MFCD00005683
PubChem CID: 23396
PubChem SID: 488182823

In stock

Item Number

N111468

Grouped product items
SKU	Size	Availability	Price
N111468-1g	1g	3	$51.90
N111468-5g	5g	10	$230.90
N111468-10g	10g	1	$415.90
N111468-25g	25g	1	$934.90
N111468-100g	100g	1	$3,365.90

View related series

azole (525) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms

NSC 69874 | AC-3141 | MFCD00005683 | 7-Nitroindole | NSC69874 | NSC-69874 | Z1255382963 | 7-Nitroindole, 97% | N0685 | 5-20-07-00044 (Beilstein Handbook Reference) | AB00500 | AM20060938 | DTXSID20219879 | INDOLE, 7-NITRO- | FT-0621473 | AKOS005207160 | H

Specifications & Purity

≥99%

Shipped In

Normal

Product Description

Reactant for preparation of:

• Protein kinase inhibitors

• Potential fructose 1,6-bisphosphatase inhibitors

• Factor Xa inhibitors

• Antagonist of the mineralocorticoid receptor

• Antitumor sulfonamides

• Inosine monophosphate dehydrogenase (IMPDH) inhibitors

• Subtype-selective cyclooxygenase (COX) inhibitors

• Thrombin protease-activated receptor (PAR-1) ligands

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	Indoles
Alternative Parents	Nitroaromatic compounds Benzenoids Pyrroles 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	Indole - Nitroaromatic compound - Benzenoid - Pyrrole - 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
Description	This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488182823
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182823
IUPAC Name	7-nitro-1H-indole
INCHI	InChI=1S/C8H6N2O2/c11-10(12)7-3-1-2-6-4-5-9-8(6)7/h1-5,9H
InChIKey	LZJGQIVWUKFTRD-UHFFFAOYSA-N
Smiles	C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2
Isomeric SMILES	C1=CC2=C(C(=C1)[N+](=O)[O-])NC=C2
WGK Germany	3
RTECS	NM1169000
Molecular Weight	162.15
Beilstein	20(5)7,44
Reaxy-Rn	130874
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=130874&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.

16 results found

Lot Number	Certificate Type	Date	Item
F1713020	Certificate of Analysis	Jan 07, 2025	N111468
K2016118	Certificate of Analysis	Sep 13, 2024	N111468
K2016117	Certificate of Analysis	Sep 13, 2024	N111468
K1221048	Certificate of Analysis	Jun 15, 2024	N111468
I2308529	Certificate of Analysis	May 06, 2023	N111468
I2308522	Certificate of Analysis	May 06, 2023	N111468
I2308527	Certificate of Analysis	May 06, 2023	N111468
I2308520	Certificate of Analysis	May 06, 2023	N111468
I2308523	Certificate of Analysis	May 06, 2023	N111468
I2308524	Certificate of Analysis	May 06, 2023	N111468
I2308521	Certificate of Analysis	May 06, 2023	N111468
I2308528	Certificate of Analysis	May 06, 2023	N111468
I2308525	Certificate of Analysis	May 06, 2023	N111468
I2308526	Certificate of Analysis	May 06, 2023	N111468
D2321392	Certificate of Analysis	Mar 23, 2022	N111468
C2208146	Certificate of Analysis	Mar 23, 2022	N111468

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Chemical and Physical Properties

Melt Point(°C)	94-98°C
Molecular Weight	162.150 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	162.043 Da
Monoisotopic Mass	162.043 Da
Topological Polar Surface Area	61.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	190.000
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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