1,2-Dichloro-4-[(E)-2-nitroethenyl]benzene

Base Information

• Chemical Name: 1,2-Dichloro-4-[(E)-2-nitroethenyl]benzene
• CAS No.: 18984-16-2
• Molecular Formula: C₈H₅Cl₂NO₂
• Molecular Weight: 218.039
• Hs Code.: 2904909090
• European Community (EC) Number: 625-143-1
• DSSTox Substance ID: DTXSID701035425
• Nikkaji Number: J1.134.123C,J693.419F
• Wikidata: Q76305621
• Mol file: 18984-16-2.mol

Synonyms:18984-16-2;1,2-dichloro-4-(2-nitrovinyl)benzene;1,2-Dichloro-4-[(E)-2-nitroethenyl]benzene;1-(3,4-dichlorophenyl)-2-nitroethylene;(E)-1,2-Dichloro-4-(2-nitrovinyl)benzene;37630-23-2;3,4-dichloro-beta-nitrostyrene;Benzene, 1,2-dichloro-4-(2-nitroethenyl)-;trans-3,4-Dichloro-beta-nitrostyrene;1,2-dichloro-4-(2-nitroethenyl)benzene;3,4-Dichloro--nitrostyrene;Benzene,1,2-dichloro-4-(2-nitroethenyl)-;SCHEMBL794027;SCHEMBL798036;beta-Nitro-3,4-dichlorostyrene;3,4-Dichloro-omega-nitrostyrene;DTXSID701035425;3,4-Dichloro-.omega.-nitrostyrene;(E)-beta-Nitro-3,4-dichlorostyrene;ANM100057;MFCD00052834;NSC 38663;AKOS009158330;AKOS015888998;AM85646;CCG-246134;Styrene, 3,4-dichloro-.beta.-nitro-;CS-0357323;trans-3,4-Dichloro-beta-nitrostyrene, 97%;1,2-dichloro-4-((E)-2-nitro-vinyl)-benzene;1,2-dichloro-4-[(1E)-2-nitroethenyl]benzene;1,2-Dichloro-4-[(E)-2-nitroethenyl]benzene #;EN300-1985895;A813370;1,2-bis(chloranyl)-4-[(E)-2-nitroethenyl]benzene

Chemical Property of 1,2-Dichloro-4-[(E)-2-nitroethenyl]benzene

Chemical Property:

• Vapor Pressure: 0.000161mmHg at 25°C
• Melting Point: 93-97 °C(lit.)
• Boiling Point: 341.2°Cat760mmHg
• Flash Point: 160.2°C
• PSA: 45.82000
• Density: 1.447g/cm³
• LogP: 3.76400
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.9697338
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

trans-3,4-Dichloro-β-nitrostyrene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 50/53
• Safety Statements: 36/37-60-61

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Dichloro-4-[(E)-2-nitroethenyl]benzene

There total 2 articles about 1,2-Dichloro-4-[(E)-2-nitroethenyl]benzene 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: 75.0%

nitromethane (75-52-5) + 3,4-dichlorobenzaldehyde (6287-38-3) → 1,2-dichloro-4-(2-nitrovinyl)benzene (37630-23-2,18984-16-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 0 ℃; for 1h;

Reference yield: 75.0%

→ 1,2-dichloro-4-(2-nitrovinyl)benzene (37630-23-2,18984-16-2)

Guidance literature:

Reference yield: 99.0%

pyrrole (109-97-7,30604-81-0) + 1,2-dichloro-4-(2-nitrovinyl)benzene (37630-23-2,18984-16-2) → 2-(1-(3,4-dichlorophenyl)-2-nitroethyl)-1H-pyrrole

Guidance literature:

With C₆₂H₅₂Cu₂F₆N₂O₄; In water; toluene; at 20 ℃; for 36h; optical yield given as %ee; enantioselective reaction;

DOI:10.1002/chem.201102206

upstream raw materials:

nitromethane

3,4-dichlorobenzaldehyde

Downstream raw materials:

6-Nitro-5-<3,4-dichlorphenyl>-bicyclo<2.2.1>hepten-(2)

5-Nitro-4-<3.4-dichlor-phenyl>-cyclohexen

C₂₃H₃₁Cl₂N₃O₅

C₂₄H₃₁Cl₂N₃O₅

Refernces

• 1、 -. "Cinnamic acid derivative and preparation method and application thereof". Paragraph 0225-0227. . Retrieved 2019/10/22.
• 2、 Sridhar, Gattu,Somnath, Mudavath,Sharma, Gangavaram V. M.,Prashanth, Thodupunuri. "ZrCl4-mediated synthesis of 1,2,3-triazoles from vinyl nitrates and their biological evaluation". . p. 551 - 556. Retrieved 2017/03/15.