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3-Methyl-5-nitrobenzonitrile - 95%, high purity , CAS No.124289-22-1

COA

Grade & Purity:

≥95%

Cas Number: 124289-22-1
Molecular Weight: 162.15
PubChem CID: 14567859
PubChem SID: 488198689

In stock

Item Number

M190266

Grouped product items
SKU	Size	Availability	Price
M190266-1g	1g	3	$20.90
M190266-250mg	250mg	5	$10.90
M190266-5g	5g	2	$41.90

Discover 3-Methyl-5-nitrobenzonitrile by Aladdin Scientific in 95% for only $10.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-METHYL-5-NITROBENZONITRILE \| 124289-22-1 \| Benzonitrile, 3-methyl-5-nitro- \| MFCD17170423 \| 3-Cyano-5-nitrotoluene \| 3-CYANO-5-METHYLNITROBENZENE \| SCHEMBL1344128 \| DTXSID80561725 \| AKOS015919702 \| CS-W003891 \| DS-1683 \| SY016059 \| FT-0688159 \| A24150 \| EN300-245614 \| Z1255502451
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitrotoluenes Nitroaromatic compounds Benzonitriles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Benzonitrile - Nitroaromatic compound - Toluene - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Pubchem Sid	488198689
IUPAC Name	3-methyl-5-nitrobenzonitrile
INCHI	InChI=1S/C8H6N2O2/c1-6-2-7(5-9)4-8(3-6)10(11)12/h2-4H,1H3
InChIKey	WEWBXIHWZDLYSN-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1)[N+](=O)[O-])C#N
Isomeric SMILES	CC1=CC(=CC(=C1)[N+](=O)[O-])C#N
Molecular Weight	162.15
Reaxy-Rn	3540828
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3540828&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2118407	Certificate of Analysis	Sep 14, 2024	M190266
K2118408	Certificate of Analysis	Sep 14, 2024	M190266
K2118543	Certificate of Analysis	Sep 14, 2024	M190266

Chemical and Physical Properties

Molecular Weight	162.150 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	162.043 Da
Monoisotopic Mass	162.043 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	225.000
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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