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2-methyl-2-(4-nitrophenyl)propanenitrile - 97%, high purity , CAS No.71825-51-9

COA

Grade & Purity:

≥97%

Cas Number: 71825-51-9
Molecular Weight: 190.202
PubChem CID: 823615
PubChem SID: 488191574

In stock

Item Number

M177272

Grouped product items
SKU	Size	Availability	Price
M177272-1g	1g	4	$32.90
M177272-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$102.90
M177272-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$184.90
M177272-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$331.90

Discover 2-methyl-2-(4-nitrophenyl)propanenitrile by Aladdin Scientific in 97% for only $32.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-methyl-2-(4-nitrophenyl)propanenitrile \| 71825-51-9 \| 2-Methyl-2-(4-nitrophenyl)propionitrile \| SCHEMBL395484 \| DTXSID60356414 \| XZVURMRLCAFELZ-UHFFFAOYSA-N \| BCP31974 \| CS-B0354 \| MFCD00844930 \| AKOS006272838 \| AM85889 \| PB19893 \| 2-{4-nitrophenyl}-2-methylpropanenitrile \| DS-1
Specifications & Purity	≥97%
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	Phenylpropanes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Phenylpropane - Nitroaromatic compound - 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 - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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	488191574
IUPAC Name	2-methyl-2-(4-nitrophenyl)propanenitrile
INCHI	InChI=1S/C10H10N2O2/c1-10(2,7-11)8-3-5-9(6-4-8)12(13)14/h3-6H,1-2H3
InChIKey	XZVURMRLCAFELZ-UHFFFAOYSA-N
Smiles	CC(C)(C#N)C1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES	CC(C)(C#N)C1=CC=C(C=C1)[N+](=O)[O-]
Molecular Weight	190.202
Reaxy-Rn	3278580
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3278580&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
L1810167	Certificate of Analysis	Jul 04, 2024	M177272
D2320308	Certificate of Analysis	May 09, 2023	M177272

Chemical and Physical Properties

Molecular Weight	190.200 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	190.074 Da
Monoisotopic Mass	190.074 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	264.000
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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