3,5-DINITROPHENYL ISOCYANATE

Base Information

• Chemical Name: 3,5-DINITROPHENYL ISOCYANATE
• CAS No.: 59776-60-2
• Molecular Formula: C7H3 N3 O5
• Molecular Weight: 209.118
• Mol file: 59776-60-2.mol

Synonyms:1-Isocyanato-3,5-dinitrobenzene;3,5-Dinitrophenyl isocyanate

Chemical Property of 3,5-DINITROPHENYL ISOCYANATE

Chemical Property:

• Vapor Pressure: 9.71E-05mmHg at 25°C
• Melting Point: 82-87 °C(lit.)
• Boiling Point: 338.6°C at 760 mmHg
• Flash Point: 158.6°C
• PSA: 121.07000
• Density: 1.61g/cm³
• LogP: 2.51670
• Storage Temp.: 2-8°C

Purity/Quality:

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

3,5-DinitrophenylIsocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-42
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 3,5-DINITROPHENYL ISOCYANATE

There total 7 articles about 3,5-DINITROPHENYL ISOCYANATE 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:

3,5-dinitrobenzoyl azide (42444-51-9) + acetone (67-64-1) → 3,5-dinitrobenzoic acid (99-34-3) + 1-isocyanato-3,5-dinitrobenzene (59776-60-2) + 3, 5-dinitroaniline (618-87-1)

Guidance literature:

DOI:10.1002/hlca.19330160153

Reference yield:

3,5-dinitrobenzoyl azide (42444-51-9) → 1-isocyanato-3,5-dinitrobenzene (59776-60-2)

Guidance literature:

With benzene;

DOI:10.1002/hlca.19330160153

Reference yield:

3,5-dinitrobenoyl chloride (99-33-2) → 1-isocyanato-3,5-dinitrobenzene (59776-60-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium azide / water; acetone / 1 h / Cooling

2: toluene / 3 h / 120 °C / Inert atmosphere; Sealed tube

With sodium azide; In water; acetone; toluene; 2: |Curtius Rearrangement;

DOI:10.1039/c8dt03225d

upstream raw materials:

3,5-dinitrobenzoyl azide

acetone

toluene

phosgene

Downstream raw materials:

(3,5-dinitro-phenyl)-carbamic acid methyl ester

N-(3,5-dinitrophenyl)-acetamide

[(3,5-dinitro-phenyl)-carbamic acid ]-acetic acid-anhydride

3, 5-dinitroaniline

Refernces

• 1、 Denmark, Scott E.,Ares, Jeffrey J.. "Stereoselective alkylations of chiral nitro imine and nitro hydrazone dianions. Synthesis of enantiomerically enriched 3-substituted 1-nitrocyclohexenes". body text. p. 9647 - 9656. Retrieved 2009/04/11.
• 2、 -. "Synthesis of isocyanates from nitroalkanes". . . Retrieved 2008/06/13.