4,4''-Dinitro-p-terphenyl

Base Information

• Chemical Name: 4,4''-Dinitro-p-terphenyl
• CAS No.: 3282-11-9
• Molecular Formula: C18H12N2O4
• Molecular Weight: 320.304
• Hs Code.: 2904209090
• NSC Number: 516219
• DSSTox Substance ID: DTXSID40186493
• Nikkaji Number: J891.181I
• Wikidata: Q72472571
• Mol file: 3282-11-9.mol

Synonyms:4,4''-Dinitro-p-terphenyl;3282-11-9;1,4-bis(4-nitrophenyl)benzene;p-Terphenyl, 4,4''-dinitro-;4,4-DINITRO-P-TERPHENYL;4,4''-Dinitro-1,1':4',1''-terphenyl;4,4''-Dinitro-(1,1',4',1'')terphenyl;NSC516219;p,p''-Dinitro-p-terphenyl;SCHEMBL6423919;DTXSID40186493;MHOAYDHUNGLDTB-UHFFFAOYSA-N;4,4''-Dinitro-(para-terphenyl);MFCD00051743;AKOS003238609;NSC 516219;NSC-516219;SB66711;4,4''-Dinitro-1,1',4',1''-terphenyl;D3394;FT-0736524;4,4''-Dinitro-[1,1';4',1'']terphenyl;1,1':4',1''-Terphenyl, 4,4''-dinitro-;D90182

Chemical Property of 4,4''-Dinitro-p-terphenyl

Chemical Property:

• Melting Point: 277-278 °C
• Boiling Point: 534.4 °C at 760mmHg
• Flash Point: 260.2 °C
• PSA: 91.64000
• Density: 1.314 g/cm³
• LogP: 5.88340
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 320.07970687
• Heavy Atom Count: 24
• Complexity: 393

Purity/Quality:

98% ^*data from raw suppliers

4,4''''-Dinitro-p-terphenyl ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 4,4''-Dinitro-p-terphenyl

There total 4 articles about 4,4''-Dinitro-p-terphenyl 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: 66.0%

p-nitrobenzene iodide (636-98-6) + 1,4-Phenyldiboronic acid (4612-26-4) → 4-(4-nitrophenyl)phenol (3916-44-7) + p,p-dinitro-p-terphenyl (3282-11-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; at 80 ℃; for 16h;

DOI:10.1016/S0040-4039(97)01552-9

Reference yield:

→ 4,4''-diamino-p-terphenyl (3365-85-3) + p,p-dinitro-p-terphenyl (3282-11-9)

Guidance literature:

Reference yield:

para-diiodobenzene (624-38-4,1032416-46-8) + 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene (171364-83-3) → 4-iodo-4'-nitrobiphenyl (29170-08-9) + p,p-dinitro-p-terphenyl (3282-11-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; silver carbonate; In tetrahydrofuran; Heating;

DOI:10.1021/jo050105q

upstream raw materials:

p-nitrobenzene iodide

1,4-Phenyldiboronic acid

1.4-dibromobenzene

4-nitrophenylboronic acid

Downstream raw materials:

4,4''-bis-cyano[1,1';4',1'']terphenyl

4,4''-Bis-(2-hydroxy-5-sulfo-benzoylamino)-p-terphenyl

4,4''-Bis-(2-methoxy-benzoylamino)-p-terphenyl

1,4-bis[2-(4-hydroxyphenyl)-2-propylene]benzene

Refernces

• 1、 Todd, Matthew H.,Balasubramanian, Shankar,Abell, Chris. "Studies on the synthesis, characterisation and reactivity of aromatic diboronic acids". . p. 6781 - 6784. Retrieved 2007/10/03.