3,5-Dinitrobenzyl chloride

Base Information

• Chemical Name: 3,5-Dinitrobenzyl chloride
• CAS No.: 74367-78-5
• Molecular Formula: C7H5ClN2O4
• Molecular Weight: 216.581
• Hs Code.: 29049090
• European Community (EC) Number: 277-841-7
• DSSTox Substance ID: DTXSID8072790
• Nikkaji Number: J149.984J
• Wikidata: Q72472479
• Mol file: 74367-78-5.mol

Synonyms:3,5-Dinitrobenzyl chloride;74367-78-5;1-(Chloromethyl)-3,5-dinitrobenzene;Benzene, 1-(chloromethyl)-3,5-dinitro-;CCRIS 3134;alpha-Chloro-3,5-dinitrotoluene;EINECS 277-841-7;3,5-dinitrobenzylchloride;Toluene, alpha-chloro-3,5-dinitro-;SCHEMBL1316710;DTXSID8072790;SMJODKZAFKWUJG-UHFFFAOYSA-;1-Chloromethyl-3,5-dinitrobenzene;3,5-Dinitrobenzyl chloride, 97%;MFCD00007234;AKOS015889178;AKOS016005470;AB00862;AM82933;Toluene, .alpha.-chloro-3,5-dinitro-;1-(Chloromethyl)-3,5-dinitrobenzene #;AS-40377;LS-29497;(5-PHENYL-TETRAZOL-2-YL)-ACETICACID;FT-0641513;3,5-Dinitrobenzyl chloride, purum, >=97.0% (AT)

Chemical Property of 3,5-Dinitrobenzyl chloride

Chemical Property:

• Appearance/Colour: WHITE TO TAN POWDER, CRYSTALS, POWDER AND/OR CHUNKS
• Vapor Pressure: 1.93E-05mmHg at 25°C
• Melting Point: 79-82 °C
• Refractive Index: 1.614
• Boiling Point: 373.4 °C at 760 mmHg
• Flash Point: 179.6 °C
• PSA: 91.64000
• Density: 1.538 g/cm³
• LogP: 3.28820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.9937843
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

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

3,5-Dinitrobenzyl chloride purum, ≥97.0% (AT) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-36/37/39-45

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-])CCl
• Uses: 3,5-Dinitrobenzyl chloride was used in the synthesis of double-spanned double cavity calix[4]arenes and 3,5-dinitrobenzylamines. It also was used in fluorescence flow immunoassay for determination of 4-nitrophenol.

Technology Process of 3,5-Dinitrobenzyl chloride

There total 5 articles about 3,5-Dinitrobenzyl chloride 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: 96.0%

Bromotrichloromethane (75-62-7) + 3,5-dinitrobenzyl alcohol (71022-43-0) → 3,5-dinitrobenzyl chloride (74367-78-5)

Guidance literature:

Bromotrichloromethane; With triphenylphosphine; In dichloromethane; at 20 ℃; for 0.666667h; in air;

3,5-dinitrobenzyl alcohol; In dichloromethane; at 20 ℃; in air;

DOI:10.1055/s-0030-1258368

Reference yield: 85.0%

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

Guidance literature:

With thionyl chloride; triethylamine; In dichloromethane; at 50 ℃; for 0.5h; Cooling with ice;

DOI:10.1021/ol800689a

Reference yield:

3,5-dinitrotoluene (618-85-9) → 3,5-dinitrobenzyl chloride (74367-78-5)

Guidance literature:

With tetrachloromethane; chlorine; im Licht einer Quecksilber-Lampe;

DOI:10.1021/ja01150a113

upstream raw materials:

3,5-dinitrotoluene

3,5-dinitrobenzyl alcohol

Bromotrichloromethane

3,5-dinitrobenzoic acid

Downstream raw materials:

3,5-dinitrobenzyl alcohol

Phosphoric acid mono-{(2R,3S,4R,5R)-5-[6-amino-8-(3,5-dinitro-benzylsulfanyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl} ester

Benzaldehyde (4,6-dimethylpyrimidin-2-yl)(3,5-dinitrobenzyl)hydrazone

Refernces

• 1、 -. "Derivatives of 1H-imidazole-4,5-dicarboxamide and Use Thereof in Preparation of Anticoccidial Drugs". Paragraph 0119; 0123; 0124. . Retrieved 2019/01/10.
• 2、 Sun, Wei-Ting,Huang, Yau-Ting,Huang, Guan-Jhih,Lu, Hsiu-Feng,Chao, Ito,Huang, Shou-Ling,Huang, Shing-Jong,Lin, Ying-Chih,Ho, Jinn-Hsuan,Yang, Jye-Shane. "Pentiptycene-derived light-driven molecular brakes: Substituent effects of the brake component". body text. p. 11594 - 11604. Retrieved 2010/12/18.