4-05-00-02171 (Beilstein Handbook Reference)

Base Information

• Chemical Name: 4-05-00-02171 (Beilstein Handbook Reference)
• CAS No.: 42467-40-3
• Molecular Formula: C14H10N2O4
• Molecular Weight: 270.244
• Hs Code.: 2904209090
• NSC Number: 33532
• Nikkaji Number: J336.351A,J3.099.404C
• Wikidata: Q76310566
• Mol file: 42467-40-3.mol

Synonyms:2-(2-Nitro-phenyl)-3-(4-nitro-phenyl)-oxiran;Benzene, 1,1‘-(1,2-ethenediyl)bis[2-nitro-, (E)-;

Chemical Property of 4-05-00-02171 (Beilstein Handbook Reference)

Chemical Property:

• Melting Point: 194.5-196 °C
• Boiling Point: 450.5±34.0 °C(Predicted)
• PSA: 91.64000
• Density: 1.376±0.06 g/cm3(Predicted)
• LogP: 4.71980
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 270.06405680
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 4-05-00-02171 (Beilstein Handbook Reference)

There total 16 articles about 4-05-00-02171 (Beilstein Handbook Reference) 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: 93.0%

1-(dichloromethyl)-2-nitrobenzene (3284-77-3) → 2,2'-dinitrostilbene (42467-40-3)

Guidance literature:

With iron(II) oxalate dihydrate; In N,N-dimethyl-formamide; at 155 - 160 ℃; for 0.666667h;

DOI:10.1055/s-1990-26998

Reference yield: 80.0%

1,2-bis(o-nitrophenyl)ethylene (6275-02-1) → 2,2'-dinitrostilbene (42467-40-3)

Guidance literature:

With thiophenol; Heating;

DOI:10.1021/jo951789c

Reference yield: 72.0%

2-nitrophenylmethyl bromide (3958-60-9) → 2,2'-dinitrostilbene (42467-40-3)

Guidance literature:

With sodium hydroxide; 1-phenylalkyl isocyanide (R=CH₃); tetrabutylammomium bromide; In benzene; at 36 ℃; for 4h;

upstream raw materials:

nitro acetate

stilbene

diethyl 2-nitrobenzylphosphonate

1-(dichloromethyl)-2-nitrobenzene

Downstream raw materials:

2,2'-diaminostilbene

(E)-2,2'-diazidostilbene

ortho-nitrobenzoic acid

2-nitro-benzaldehyde