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6-Nitroindoline - 98%, high purity , CAS No.19727-83-4

COA

Grade & Purity:

≥98%

Cas Number: 19727-83-4
Molecular Weight: 164.16
Beilstein Registry Number: 156434
EC Number: 243-257-6
MDL number: MFCD00005710
PubChem CID: 29757
PubChem SID: 488183105

In stock

Item Number

N120345

Grouped product items
SKU	Size	Availability	Price
N120345-1g	1g	≥10	$18.90
N120345-5g	5g	5	$49.90
N120345-25g	25g	2	$222.90
N120345-100g	100g	3	$800.90

View related series

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

Basic Description

Synonyms	6-Nitro-2,3-dihydroindole \| NSC 80658
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolines
Intermediate Tree Nodes	Not available
Direct Parent	Indolines
Alternative Parents	Nitroaromatic compounds Secondary alkylarylamines Aralkylamines Benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroindole - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
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	488183105
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183105
IUPAC Name	6-nitro-2,3-dihydro-1H-indole
INCHI	InChI=1S/C8H8N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-2,5,9H,3-4H2
InChIKey	LTNYDSMDSLOMSM-UHFFFAOYSA-N
Smiles	C1CNC2=C1C=CC(=C2)[N+](=O)[O-]
Isomeric SMILES	C1CNC2=C1C=CC(=C2)[N+](=O)[O-]
WGK Germany	3
RTECS	NM1950000
Molecular Weight	164.16
Beilstein	156434
Reaxy-Rn	156434
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156434&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.

5 results found

Lot Number	Certificate Type	Date	Item
G1706067	Certificate of Analysis	Feb 08, 2025	N120345
B2327511	Certificate of Analysis	Oct 24, 2022	N120345
B2327507	Certificate of Analysis	Oct 24, 2022	N120345
B2327499	Certificate of Analysis	Oct 24, 2022	N120345
B2327434	Certificate of Analysis	Oct 24, 2022	N120345

Chemical and Physical Properties

Melt Point(°C)	66-70°C
Molecular Weight	164.160 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	164.059 Da
Monoisotopic Mass	164.059 Da
Topological Polar Surface Area	57.900 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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