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2-Methyl-5-nitroindoline - 95%, high purity , CAS No.115210-54-3

COA

Grade & Purity:

≥95%

Cas Number: 115210-54-3
Molecular Weight: 178.19
PubChem CID: 11378828
PubChem SID: 488197451

In stock

Item Number

M357151

Grouped product items
SKU	Size	Availability	Price
M357151-1g	1g	5	$133.90
M357151-5g	5g	2	$399.90
M357151-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,333.90

Basic Description

Synonyms	AKOS015998284 \| DTXSID40464026 \| SCHEMBL257552 \| 2-Methyl-5-nitroindoline, 95% \| 5-nitro-2-methylindoline \| MFCD00460685 \| EN300-36053 \| J-003266 \| JVOZJSSFSXFDAU-UHFFFAOYSA-N \| 2-Methyl-5-nitroindoline \| 1H-Indole, 2,3-dihydro-2-methyl-5-nitro- \| Z362603
Specifications & Purity	≥95%
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 Organic zwitterions Organic salts 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 - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organic salt - Organonitrogen 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

Names and Identifiers

Pubchem Sid	488197451
IUPAC Name	2-methyl-5-nitro-2,3-dihydro-1H-indole
INCHI	InChI=1S/C9H10N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-3,5-6,10H,4H2,1H3
InChIKey	JVOZJSSFSXFDAU-UHFFFAOYSA-N
Smiles	CC1CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
Isomeric SMILES	CC1CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
WGK Germany	3
Molecular Weight	178.19
Reaxy-Rn	10903
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10903&ln=

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
F2305550	Certificate of Analysis	Apr 24, 2023	M357151
F2305548	Certificate of Analysis	Apr 24, 2023	M357151
F2305551	Certificate of Analysis	Apr 24, 2023	M357151
F2305549	Certificate of Analysis	Apr 24, 2023	M357151
F2305552	Certificate of Analysis	Apr 24, 2023	M357151

Chemical and Physical Properties

Sensitivity	light sensitive
Melt Point(°C)	51-54 °C (lit.)
Molecular Weight	178.190 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	178.074 Da
Monoisotopic Mass	178.074 Da
Topological Polar Surface Area	57.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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