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3-methyl-5-nitro-1H-indole - 97%, high purity , CAS No.61861-88-9

COA

Grade & Purity:

≥97%

Cas Number: 61861-88-9
Molecular Weight: 176.18
EC Number: 836-658-8
PubChem CID: 600587

In stock

Item Number

M634230

Grouped product items
SKU	Size	Availability	Price
M634230-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
M634230-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90
M634230-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90
M634230-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,201.90
M634230-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,401.90

Basic Description

Synonyms	3-Methyl-5-nitro-1H-indole \| CS-0415942 \| MFCD00277073 \| A936794 \| AT22651 \| Z1255379380 \| Q63409493 \| AKOS028111550 \| (3-methyl-1H-indol-5-yl)azinic acid \| 3-Methyl-5-nitroindole \| SB14930 \| 5-Nitro-3-methylindole \| EN300-202716 \| SCHEMBL3298386 \| PS-168
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles
      - Level5 3-alkylindoles
        Level6 3-methylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	3-alkylindoles
Direct Parent	3-methylindoles
Alternative Parents	Nitroaromatic compounds Substituted pyrroles 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	3-methylindole - Nitroaromatic compound - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
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-nitro-1H-indole
INCHI	InChI=1S/C9H8N2O2/c1-6-5-10-9-3-2-7(11(12)13)4-8(6)9/h2-5,10H,1H3
InChIKey	LPFQDJBJGFUMRG-UHFFFAOYSA-N
Smiles	CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
Isomeric SMILES	CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
Alternate CAS	61861-88-9
PubChem CID	600587
Molecular Weight	176.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	176.170 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	176.059 Da
Monoisotopic Mass	176.059 Da
Topological Polar Surface Area	61.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214.000
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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