Picryl chloride

Base Information

• Chemical Name: Picryl chloride
• CAS No.: 88-88-0
• Molecular Formula: C6H2 Cl N3 O6
• Molecular Weight: 247.551
• Hs Code.: 2933990090
• European Community (EC) Number: 201-864-3
• NSC Number: 106297,1872
• UN Number: 0155
• UNII: Z4ZG7O5SZ9
• DSSTox Substance ID: DTXSID3025910
• Nikkaji Number: J4.296J
• Wikipedia: Picryl_chloride
• Wikidata: Q2453531
• Metabolomics Workbench ID: 58520
• Mol file: 88-88-0.mol

Synonyms:1-Chloro-2,4,6-trinitrobenzene;2,4,6-Trinitro-1-chlorobenzene;Chloride, Picryl;Picryl Chloride;Trinitrochlorobenzene

Chemical Property of Picryl chloride

Chemical Property:

• Appearance/Colour: white to cream crystalline powder
• Vapor Pressure: 7.01E-05mmHg at 25°C
• Melting Point: 83 - 85 C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 354.1°C at 760 mmHg
• Flash Point: 167.9°C
• PSA: 137.46000
• Density: 1.808g/cm³
• LogP: 3.63420
• Water Solubility.: 0.53g/L(16 oC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 246.9632125
• Heavy Atom Count: 16
• Complexity: 296
• Transport DOT Label: Explosive 1.1D

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): E,T+,N
• Hazard Codes: E,T+,N
• Statements: 2-26/27/28-50/53
• Safety Statements: 28-35-36/37-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aromatic
• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Picryl chloride

There total 40 articles about Picryl 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: 97.0%

3-chloro-2,4,6-trinitrophenyl 2,4,6-trinitrophenyl sulfone (37460-59-6) + aniline (62-53-3) → 2,4,6-trinitrochlorobenzene (88-88-0) + trinitro-2,4,6 diphenylamine (2919-12-2) + aniline hydrochloride (142-04-1,36663-09-9)

Guidance literature:

With air; In benzene; at 20 ℃; for 2h; Product distribution;

Reference yield: 95.0%

2,4,6-Trinitrophenol (88-89-1) → 2,4,6-trinitrochlorobenzene (88-88-0)

Guidance literature:

With pyridine; trichlorophosphate; at 65 - 70 ℃; for 0.333333h;

Reference yield: 78.0%

pyridinium picrate (1152-90-5) → 2,4,6-trinitrochlorobenzene (88-88-0)

Guidance literature:

With trichlorophosphate; In benzene; for 0.333333h; Reflux;

DOI:10.3998/ark.5550190.p008.827

upstream raw materials:

pyridine

2,4,6-Trinitrophenol

nitrobenzene

benzenesulfonyl chloride

Downstream raw materials:

2,4,6-trinitro-1-piperidinobenzene

(2.4.6-Trinitro-phenyl)-[2-(2-hydroxy-naphthyl-⁽¹⁾-oxy)-naphthyl-⁽¹⁾]-sulfid

1-picryl-pyridinium; chloride

1-picryl-pyridinium; picrate

Refernces

• 1、 Zhang, Hong,Wang, Zuoquan,Jabeen, Farukh,Gopinathan-Pillai, Girinath,Zhou, Wenfeng,Steel, Peter J.,Hall, C. Dennis,Katritzky, Alan R.. "Synthesis of pyridinium N-aryl/N-heteroarylcyclic ylides as potential energetic materials". . p. 20 - 24. Retrieved 2016.
• 2、 M?d?lan, Augustin M.,Matache, Mihaela,Ionita, Petre. "Synthesis and structural analysis of some nitroderivatives of a dopamine analog". . p. 103 - 107. Retrieved 2021/02/05.
• 3、 Konstantinova,Knyazeva,Gatilov, Yu. V.,Zlotin,Rakitin. "Nitro derivatives of 2,1,3-benzothiadiazole 1-oxides: synthesis, structural study, and NO release". . p. 95 - 101. Retrieved 2018/04/27.