2,2'-Dinitrobibenzyl

Base Information Edit

Chemical Name:2,2'-Dinitrobibenzyl
CAS No.:16968-19-7
Molecular Formula:C14H12N2O4
Molecular Weight:272.26
Hs Code.:29042090
European Community (EC) Number:241-043-7
NSC Number:85868
DSSTox Substance ID:DTXSID60168736
Nikkaji Number:J23.129K
Wikidata:Q83038358
ChEMBL ID:CHEMBL1865386
Mol file:16968-19-7.mol

Synonyms:2,2'-Dinitrodibenzyl;16968-19-7;1,2-Bis(2-nitrophenyl)ethane;2,2'-Dinitrobibenzyl;Bis(o-nitrobenzyl);BIBENZYL, 2,2'-DINITRO-;o,o'-Dinitrobibenzyl;o,o'-Dinitrodibenzyl;Dinitro-2,2' dibenzyl;Dinitro-2,2' dibenzyl [French];1-Nitro-2-[2-(2-nitrophenyl)ethyl]benzene;EINECS 241-043-7;NSC 85868;MLS002694658;Benzene, 1,1'-(1,2-ethanediyl)bis(2-nitro-;Benzene, 1,1'-(1,2-ethanediyl)bis[2-nitro-;NSC85868;Bibenzyl,2'-dinitro-;2,2/'-Dinitrobibenzyl;2,2\'-Dinitrodibenzyl;Benzene,1,1'-(1,2-ethanediyl)bis[2-nitro-;NCIOpen2_004869;Oprea1_755917;SCHEMBL3202573;CHEMBL1865386;DTXSID60168736;HMS3085B10;MFCD00024296;NSC-85868;1-nitro-2-(2-nitrophenethyl)benzene;AKOS003064090;CS-W014029;AC-30186;DS-16393;LS-43572;SMR001560583;Benzene,1'-(1,2-ethanediyl)bis[2-nitro-;FT-0637468;1-Nitro-2-[2-(2-nitrophenyl)ethyl]benzene #;F16722;A811134;W-107888;Benzene, 1,1'-(1,2-ethanediyl)bis(2-nitro- (9CI)

Suppliers and Price of 2,2'-Dinitrobibenzyl

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2,2''-Dinitrodibenzyl
25g
$ 520.00

TRC
2,2''-Dinitrodibenzyl
500mg
$ 50.00

TCI Chemical
2,2'-Dinitrodibenzyl >98.0%(GC)
5g
$ 77.00

TCI Chemical
2,2'-Dinitrodibenzyl >98.0%(GC)
25g
$ 382.00

Sigma-Aldrich
2,2'-DINITROBIBENZYL Aldrich
50mg
$ 144.00

JR MediChem
2,2''-DINITRODIBENZYL 98%
5kg
$ 1980.00

JR MediChem
2,2''-DINITRODIBENZYL 98%
1kg
$ 580.00

Crysdot
1,2-Bis(2-nitrophenyl)ethane 95+%
1000g
$ 347.00

Chemenu
1,2-Bis(2-nitrophenyl)ethane 95%
1000g
$ 327.00

American Custom Chemicals Corporation
2,2'-DINITRODIBENZYL 95.00%
5G
$ 218.19

Total 53 raw suppliers

Chemical Property of 2,2'-Dinitrobibenzyl Edit

Chemical Property:

Melting Point:122 °C
Boiling Point:391.631 °C at 760 mmHg
Flash Point:178.873 °C
PSA：91.64000
Density:1.318 g/cm³
LogP:4.33460
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:DMSO (Slightly), Methanol (Very Slightly, Heated)
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:272.07970687
Heavy Atom Count:20
Complexity:316

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2''-Dinitrodibenzyl ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]
Uses 2,2''-Dinitrodibenzyl is an intermediate in the synthesis of Carbamazepine (C175840), an antiepileptic drug that is used to treat patients with trigeminal neuralgia and psychiatric disorders (such as depression and bipolar disorder).

Technology Process of 2,2'-Dinitrobibenzyl

There total 25 articles about 2,2'-Dinitrobibenzyl 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%

: 868-85-9
Dimethyl phosphite

: 3958-60-9
2-nitrophenylmethyl bromide

: 16968-19-7
2,2'-dinitrobibenzyl

: 54006-08-5
dimethyl (2-nitrophenyl)methyl phosphonate

Guidance literature:: With sodium hydride; In tetrahydrofuran; for 3h; Product distribution; Ambient temperature; other dialkyl phosphites, var. solvents and reaction conditions;

Reference yield: 72.0%

: 577-19-5
2-nitrophenyl bromide

: 69628-96-2
p-toluenesulfonic acid o-nitrophenethyl ester

: 16968-19-7
2,2'-dinitrobibenzyl

Guidance literature:: 2-nitrophenyl bromide; With iodine; magnesium; In tetrahydrofuran; Heating;

p-toluenesulfonic acid o-nitrophenethyl ester; With dilithium tetrachlorocuprate; In tetrahydrofuran; at 55 - 60 ℃; for 10h;