Cas no 155593-11-6 (2,6-Dinitrophenylacetonitrile)

2,6-Dinitrophenylacetonitrile is a nitrile-substituted aromatic compound characterized by the presence of two nitro groups at the 2- and 6-positions of the phenyl ring. This structural configuration imparts significant reactivity, making it a valuable intermediate in organic synthesis, particularly for the preparation of heterocyclic compounds and functionalized aromatic systems. Its electron-withdrawing nitro groups enhance electrophilic substitution reactions, while the nitrile moiety offers versatility for further derivatization. The compound is commonly employed in pharmaceutical and agrochemical research due to its role in constructing complex molecular frameworks. Careful handling is advised due to its potential sensitivity to shock and heat, requiring appropriate safety protocols during storage and use.

2,6-Dinitrophenylacetonitrile structure

Product Name:2,6-Dinitrophenylacetonitrile

CAS No:155593-11-6

MF:C₈H₅N₃O₄

MW:207.143001317978

CID:1330200

PubChem ID:11117237

Update Time:2025-06-07

2,6-Dinitrophenylacetonitrile Chemical and Physical Properties

Names and Identifiers

- (2,6-Dinitrophenyl)acetonitrile
- CTK1H8015
- 2,6-dinitrophenyl acetonitrile
- 2.6-Dinitro-4-ethyl-N-methoxyanilin
- 2,6-dinitro-4-ethyl-N-methoxyaniline
- (2,6-dinitro-phenyl)-acetonitrile
- Benzenamine, 4-ethyl-N-methoxy-2,6-dinitro-
- 2.6-Dinitro-benzylcyanid
- 2-(2,6-dinitrophenyl)acetonitrile
- 2,6-DINITROPHENYLACETONITRILE
- 155593-11-6
- SCHEMBL3417023
- RRPGEIPZSVWRSA-UHFFFAOYSA-N
- Benzeneacetonitrile, 2,6-dinitro-
- 2,6-Dinitrophenylacetonitrile
- MDL： MFCD11845564
- Inchi： 1S/C8H5N3O4/c9-5-4-6-7(10(12)13)2-1-3-8(6)11(14)15/h1-3H,4H2
- InChI Key： RRPGEIPZSVWRSA-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=C(C=1CC#N)[N+](=O)[O-])=O

Computed Properties

Exact Mass: 207.02800565g/mol
Monoisotopic Mass: 207.02800565g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 15
Rotatable Bond Count: 3
Complexity: 288
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.4
Topological Polar Surface Area: 115?2

2,6-Dinitrophenylacetonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Specification	Price	update time
TRC	D680168-1mg	2,6-Dinitrophenylacetonitrile	155593-11-6	1mg	$ 50.00	2022-06-05
TRC	D680168-2mg	2,6-Dinitrophenylacetonitrile	155593-11-6	2mg	$ 65.00	2022-06-05
TRC	D680168-10mg	2,6-Dinitrophenylacetonitrile	155593-11-6	10mg	$ 80.00	2022-06-05