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2,4-Dinitrodiphenylamine - >98.0%, high purity , CAS No.961-68-2

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2,4-Dinitrodiphenylamine - >98.0%, high purity , CAS No.961-68-2

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 961-68-2
Molecular Weight: 259.22
Beilstein Registry Number: 12(3)1683
MDL number: MFCD00007223
PubChem CID: 13748
PubChem SID: 488181902

In stock

Item Number

D154907

Grouped product items
SKU	Size	Availability	Price
D154907-25g	25g	3	$37.90
D154907-100g	100g	4	$133.90
D154907-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$600.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	A845554 \| ?2,4-Dinitrodiphenylamine \| InChI=1/C12H9N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h1-8,13 \| 2,4-Dinitrodiphenylamine, 98% \| D0278 \| Diphenylamine, 2,4-dinitro- \| D89621 \| AKOS000286101 \| 2,4-Dinitro-N-phenylaniline \| 2,4-dinitr
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	2,4-Dinitrodiphenylamine forms an efficient anionic chromogenic chemosensor. It was anaerobically metabolized in sediment-water batch enrichments inoculated with mud from the German North Sea coast.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Dinitroanilines
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dinitroaniline - Nitrobenzene - Nitroaromatic compound - 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 - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by 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

Associated Targets(Human)

PC-3 (62116 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HUVEC (11049 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hep 3B2 (2332 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488181902
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181902
IUPAC Name	2,4-dinitro-N-phenylaniline
INCHI	InChI=1S/C12H9N3O4/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9/h1-8,13H
InChIKey	RHTVQEPJVKUMPI-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILES	C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
RTECS	JJ8825000
Molecular Weight	259.22
Beilstein	12(3)1683
Reaxy-Rn	1996954
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1996954&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
B2208221	Certificate of Analysis	Dec 24, 2021	D154907
B2208224	Certificate of Analysis	Dec 24, 2021	D154907
B2208278	Certificate of Analysis	Dec 24, 2021	D154907
F2328172	Certificate of Analysis	Dec 24, 2021	D154907

Chemical and Physical Properties

Melt Point(°C)	159-161°C
Molecular Weight	259.220 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	259.059 Da
Monoisotopic Mass	259.059 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	333.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Guangtao Qian, Fengna Dai, Haiquan Chen, Mengxia Wang, Mengjie Hu, Chunhai Chen, Youhai Yu. (2021) Polyimides with low coefficient of thermal expansion derived from diamines containing benzimidazole and amide: Synthesis, properties, and the N-substitution effect. JOURNAL OF POLYMER SCIENCE, 59 (6): (510-518).

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2,4-Dinitrodiphenylamine - >98.0%, high purity , CAS No.961-68-2

Basic Description

Taxonomic Classification

Associated Targets(Human)

Mechanisms of Action

Names and Identifiers

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

Chemical and Physical Properties

Citations of This Product

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

Customer Reviews