3,5-Dinitrobenzyl alcohol

Base Information

• Chemical Name: 3,5-Dinitrobenzyl alcohol
• CAS No.: 71022-43-0
• Molecular Formula: C7H6N2O5
• Molecular Weight: 198.135
• Hs Code.: 29062990
• European Community (EC) Number: 275-131-1
• UNII: 111Z6Y5YNW
• DSSTox Substance ID: DTXSID90221262
• Nikkaji Number: J236.349F
• Wikidata: Q72472450
• Mol file: 71022-43-0.mol

Synonyms:3,5-Dinitrobenzyl alcohol;71022-43-0;(3,5-Dinitrophenyl)methanol;3,5-DinitrobenzeneMethanol;Benzenemethanol, 3,5-dinitro-;(3,5-Dinitro-phenyl)-methanol;111Z6Y5YNW;EINECS 275-131-1;MFCD00007235;UNII-111Z6Y5YNW;Benzenemethanol,3,5-dinitro-;SCHEMBL716259;(3,5-Dinitrophenyl)methanol #;DTXSID90221262;3,5-Dinitrobenzyl alcohol, 98%;AKOS015913194;AKOS016003059;BENZYL ALCOHOL, 3,5-DINITRO-;AM808214;AS-58468;SY026001;CS-0132325;D4144;FT-0641323;EN300-7410225;A914890;W-104536

Chemical Property of 3,5-Dinitrobenzyl alcohol

Chemical Property:

• Appearance/Colour: slightly yellow amorphous powder and chunks
• Vapor Pressure: 2.94E-07mmHg at 25°C
• Melting Point: 88-91 °C(lit.)
• Refractive Index: 1.641
• Boiling Point: 404.2 °C at 760 mmHg
• PKA: 13.40±0.10(Predicted)
• Flash Point: 183.7 °C
• PSA: 111.87000
• Density: 1.56 g/cm³
• LogP: 2.04170
• Solubility.: soluble in Methanol
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 198.02767130
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

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

3,5-Dinitrobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Statements: 22-36/37/38
• Safety Statements: 22-24/25-36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CO
• Uses: 3,5-Dinitrobenzyl alcohol was used in the synthesis of 3,5-bis((bezoxycarbonyl)imino)benzyl alcohol.

Technology Process of 3,5-Dinitrobenzyl alcohol

There total 6 articles about 3,5-Dinitrobenzyl alcohol 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: 98.0%

3,5-dinitrobenoyl chloride (99-33-2) → 3,5-dinitrobenzyl alcohol (71022-43-0)

Guidance literature:

With Zr(BH₄)2Cl₂(dabco)2; In tetrahydrofuran; for 1.5h; Heating;

Reference yield: 92.0%

3,5-dinitrobenzoic acid (99-34-3) → 3,5-dinitrobenzyl alcohol (71022-43-0)

Guidance literature:

With borane-THF;

DOI:10.1016/j.cclet.2010.12.020

Reference yield:

3,5-dinitrobenzyl chloride (74367-78-5) → 3,5-dinitrobenzyl alcohol (71022-43-0)

Guidance literature:

With acetone;

DOI:10.1021/ja01150a113

upstream raw materials:

3,5-dinitrobenzyl chloride

3,5-dinitrobenzoic acid

3,5-dinitrobenoyl chloride

3,5-dinitrotoluene

Downstream raw materials:

3,5-dinitrobenzaldehyde

1-bromomethyl-3,5-dinitrobenzene

3,5-diaminobenzyl alcohol dihydrochloride

3,5-dinitrobenzyl iodide

Refernces

• 1、 Kalola, Anirudhdha G.,Prasad, Pratibha,Mokariya, Jaydeep A.,Patel, Manish P.. "A mild and selective Cu(II) salts-catalyzed reduction of nitro, azo, azoxy, N-aryl hydroxylamine, nitroso, acid halide, ester, and azide compounds using hydrogen surrogacy of sodium borohydride". supporting information. p. 3565 - 3589. Retrieved 2021/10/12.
• 2、 Bhunia, Mrinal,Sahoo, Sumeet Ranjan,Shaw, Bikash Kumar,Vaidya, Shefali,Pariyar, Anand,Vijaykumar, Gonela,Adhikari, Debashis,Mandal, Swadhin K.. "Storing redox equivalent in the phenalenyl backbone towards catalytic multi-electron reduction". . p. 7433 - 7441. Retrieved 2019/08/15.