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4-(Methylamino)-3-nitrobenzonitrile - 95%, high purity , CAS No.64910-45-8

COA

Grade & Purity:

≥95%

Cas Number: 64910-45-8
Molecular Weight: 177.2
PubChem CID: 4600715

In stock

Item Number

M185802

Grouped product items
SKU	Size	Availability	Price	Qty
M185802-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$907.90
M185802-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,219.90

Discover 4-(Methylamino)-3-nitrobenzonitrile by Aladdin Scientific in 95% for only $907.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-(methylamino)-3-nitrobenzonitrile \| 64910-45-8 \| 4-methylamino-3-nitro-benzonitrile \| SCHEMBL2249706 \| 4-methylamino-3-nitrobenzonitrile \| DTXSID60404747 \| MFCD03551829 \| AKOS009016459 \| HH-0705 \| CS-0208609 \| EN300-192353
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	Phenylalkylamines Nitroaromatic compounds Benzonitriles Aniline and substituted anilines Secondary alkylarylamines 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 - Benzonitrile - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Cyanide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic salt - Organic oxide - 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

IUPAC Name	4-(methylamino)-3-nitrobenzonitrile
INCHI	InChI=1S/C8H7N3O2/c1-10-7-3-2-6(5-9)4-8(7)11(12)13/h2-4,10H,1H3
InChIKey	KTWMUUHEGDUZCG-UHFFFAOYSA-N
Smiles	CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
Isomeric SMILES	CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
Molecular Weight	177.2
Reaxy-Rn	2939174
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2939174&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.160 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	177.054 Da
Monoisotopic Mass	177.054 Da
Topological Polar Surface Area	81.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	240.000
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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