p,beta-Dinitrostyrene

Base Information

• Chemical Name: p,beta-Dinitrostyrene
• CAS No.: 3156-41-0
• Molecular Formula: C8H6 N2 O4
• Molecular Weight: 194.147
• Hs Code.: 2904209090
• NSC Number: 38668,35986,23858
• DSSTox Substance ID: DTXSID20879316
• Nikkaji Number: J1.244.289K,J464.860I
• Wikidata: Q82861409
• Pharos Ligand ID: 5FPCG5H5SJ76
• ChEMBL ID: CHEMBL4753199
• Mol file: 3156-41-0.mol

Synonyms:3156-41-0;p,beta-Dinitrostyrene;BETA,4-DINITROSTYRENE;1-nitro-4-(2-nitrovinyl)benzene;1-nitro-4-(2-nitroethenyl)benzene;1-Nitro-4-[(E)-2-nitroethenyl]benzene;p,.beta.-Dinitrostyrene;Benzene, 1-nitro-4-(2-nitroethenyl)-;5576-98-7;Styrene, p,.beta.-dinitro-;CHEMBL4753199;1-Nitro-2-(p-nitrophenyl)ethylene;Styrene,.beta.-dinitro-;4-Nitro-b-nitrostyrene;NSC38668;4,beta-Dinitrostyrene;(E)-4,beta-Dinitrostyrene;4-Nitro-.beta.-nitrostyrene;SCHEMBL1681205;HMS562M04;DTXSID20879316;2-Nitro-1-(4-nitrophenyl)ethene;NSC23858;NSC35986;ANM102891;BDBM50561065;CCG-42110;MFCD00052058;NSC 23858;NSC 35986;NSC 38668;NSC-23858;NSC-35986;NSC-38668;AKOS003235300;AKOS017273843;Ethene,-1-(4-nitrophenyl)-2-nitro-;(E)-1-Nitro-4-(2-nitrovinyl)benzene;1-nitro-4-((E)-2-nitrovinyl)benzene;1-nitro-4-[(1E)-2-nitroethenyl]benzene;1-nitro-4-[(1e)-2-nitroethenyl]-benzene;CS-0206299;EN300-129668;EN300-6748791;SR-01000632136-1

Chemical Property of p,beta-Dinitrostyrene

Chemical Property:

• Vapor Pressure: 0.00061mmHg at 25°C
• Melting Point: 203-205°C
• Boiling Point: 320°Cat760mmHg
• Flash Point: 156.9°C
• PSA: 91.64000
• Density: 1.401g/cm³
• LogP: 2.88860
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.03275668
• Heavy Atom Count: 14
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

1-Nitro-4-(2-nitrovinyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1/C=C/[N+](=O)[O-])[N+](=O)[O-]

Technology Process of p,beta-Dinitrostyrene

There total 51 articles about p,beta-Dinitrostyrene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

nitromethane (75-52-5) + 4-nitrobenzaldehdye (555-16-8) → 1-nitro-4-(2-nitrovinyl)benzene (3156-41-0)

Guidance literature:

With bridged diamino-functionalized periodic mesoporous organosilicas with high nitrogen contents; at 90 ℃; for 5h;

DOI:10.1016/j.jssc.2017.07.040

Reference yield: 98.0%

nitromethane (75-52-5) + 4-nitrobenzaldehdye (555-16-8) → 1-nitro-4-[(E)-2-nitroeth-1-enyl]benzene (3156-41-0,5576-98-7)

Guidance literature:

MCM-41-NH₂; at 90 ℃; for 1h;

DOI:10.1016/S0040-4039(01)00156-3

Reference yield: 97.7%

nitromethane (75-52-5) + 4-nitrobenzaldehyde dimethyl acetal (881-67-4) → 1-nitro-4-[(E)-2-nitroeth-1-enyl]benzene (3156-41-0,5576-98-7) + 4-nitrobenzaldehdye (555-16-8)

Guidance literature:

With water; at 20 - 80 ℃; for 24h; Inert atmosphere;

DOI:10.1039/b806664g

upstream raw materials:

4-(p-nitrophenyl)-3-butene-2-one

p-nitrocinnamic acid

(2-nitroethenyl)benzene

1,5-bis(4-nitrophenyl)-1,4-pentadien-3-one

Downstream raw materials:

2-[2-nitro-1-(4-nitro-phenyl)-ethyl]-2-phenyl-indan-1,3-dione

dimethyl 2-[2-nitro-1-(4-nitrophenyl)ethyl]malonate

N-[2-nitro-1-(4-nitro-phenyl)-ethyl]-N'-phenyl-hydrazine

4-Nitro-1-<1,3,3-trinitro-butyl-2>-benzol

Refernces

• 1、 Huang, Yulin,Xu, Shu,Lin, Victor S.-Y.. "Bifunctionalized mesoporous materials with site-separated Bronsted acids and bases: Catalyst for a two-step reaction sequence". . p. 661 - 664. Retrieved 2011.
• 2、 Kane, Sanjeev R.,Modi, Chetan K.,Patel, Dikin,Srivastava, Himanshu,Trivedi, Komal A.. "Green sustainable approach for carbon–carbon bond-forming reactions using FeNPs/DETA@rGO nano-catalyst". . . Retrieved 2022/01/11.
• 3、 Andreou, Dimitrios,Essien, Nsikak B.,Pubill-Ulldemolins, Cristina,Terzidis, Michael A.,Papadopoulos, Athanasios N.,Kostakis, George E.,Lykakis, Ioannis N.. "Skeletally Tunable Seven-Membered-Ring Fused Pyrroles". supporting information. p. 6685 - 6690. Retrieved 2021/09/11.