Styphnic acid

Base Information

• Chemical Name: Styphnic acid
• CAS No.: 82-71-3
• Molecular Formula: C6H3 N3 O8
• Molecular Weight: 245.105
• Hs Code.: 2908999090
• European Community (EC) Number: 201-436-6
• NSC Number: 36932
• UN Number: 0219
• UNII: R4TJB1U00D
• DSSTox Substance ID: DTXSID7058880
• Nikkaji Number: J4.616G
• Wikipedia: Styphnic_acid
• Wikidata: Q82432
• Mol file: 82-71-3.mol

Synonyms:Styphnic acid;2,4,6-TRINITRORESORCINOL;82-71-3;2,4,6-trinitrobenzene-1,3-diol;2,4,6-Trinitro-1,3-benzenediol;1,3-Benzenediol, 2,4,6-trinitro-;Trinitroresorcinol;Resorcinol, 2,4,6-trinitro-;2,4-Dihydroxy-1,3,5-trinitrobenzene;NSC 36932;UN0394;CCRIS 3107;EINECS 201-436-6;UN0219;UNII-R4TJB1U00D;R4TJB1U00D;AI3-08927;3-Hydroxy-2,4,6-trinitrophenol;NSC-36932;Styphninsaure;Styphnic acid (6CI);2,6-Trinitroresorcinol;2 4 6-Trinitroresorcinol;Resorcinol,4,6-trinitro-;STYPHNIC ACID [MI];2,4,6-Trinitro resorcinol;SCHEMBL69964;UN 0219 (Salt/Mix);UN 0394 (Salt/Mix);C6H3N3O8;2,6-Trinitro-1,3-benzenediol;DTXSID7058880;WLN: WNR BQ DQ CNW ENW;3-Hydroxy-2 4 6-trinitrophenol;2 4 6-Trinitro-1 3-benzenediol;2,4,6-trinitro-1,3-bencenodiol;C6-H3-N3-O8;NSC36932;Resorcinol246-trinitro-(7CI8CI);NA0394;STL194200;1,3-bencenodiol, 2,4,6-trinitro-;1,3-dihidroxi-2,4,6-trinitrobenceno;AKOS005068095;1 3-Dihydroxy-2 4 6-trinitrobenzene;1,3-Dihydroxy-2,4,6-trinitrobenzene;2 4-Dihydroxy-1 3 5-trinitrobenzene;UN-0219;UN-0394;LS-188089;FT-0631376;EN300-94763;Q82432;W-109299

Chemical Property of Styphnic acid

Chemical Property:

• Vapor Pressure: 0.00104mmHg at 25°C
• Melting Point: 175.5°; mp 179-180°
• Refractive Index: 1.6910 (estimate)
• Boiling Point: 292.6°C at 760 mmHg
• PKA: 1.20±0.10(Predicted)
• Flash Point: 126.8°C
• PSA: 177.92000
• Density: 2.012g/cm³
• LogP: 2.39200
• Water Solubility.: 5.4g/L(25 oC)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 244.99201406
• Heavy Atom Count: 17
• Complexity: 317
• Transport DOT Label: Explosive 1.1D

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Severe explosion risk when heated.
• Hazard Codes: E,Xn
• Statements: 2-4-20/21/22
• Safety Statements: 35

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Explosives
• Canonical SMILES: C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]
• Uses: 2,4,6-Trinitroresorcinol has been used in the manufacture of explosives.

Technology Process of Styphnic acid

There total 95 articles about Styphnic acid 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: 94.4%

recorcinol (108-46-3) → styphnic acid (82-71-3)

Guidance literature:

With sulfuric acid; potassium nitrate; at 20 ℃; for 4.5h; Cooling with ice;

Reference yield: 60.0%

Resorcinol diacetate (108-58-7) → 4,6-dinitroresorcinol (616-74-0) + styphnic acid (82-71-3)

Guidance literature:

With sulfuric acid; nitric acid; urea; at -10 - 0 ℃; for 1.5h;

DOI:10.1021/jo00258a039

Reference yield: 44.0%

Resorcinol diacetate (108-58-7) → 4,6-dinitroresorcinol (616-74-0) + styphnic acid (82-71-3) + 4-nitroresorcinol (3163-07-3)

Guidance literature:

With nitric acid; urea; at -10 - 5 ℃; for 2h;

DOI:10.1021/jo00258a039

upstream raw materials:

Resorcinol diacetate

4,6-dinitroresorcinol

3-fluorophenol

meta-nitrophenol

Downstream raw materials:

1-(3-hydroxy-2,4,6-trinitro-phenyl)-pyridinium betaine

C₉H₁₄N₂S*C₆H₃N₃O₈

2,4-dichloro-1,3,5-trinitrobenzene

chloropicrin

Refernces

• 1、 Mukhamedova et al.. "". . . Retrieved 1967.
• 2、 -. "Energetic ionic salt of 3, 5-dihydroxy-2, 4, 6-trinitrobenzene derivative and preparation method thereof". Paragraph 0045-0047. . Retrieved 2021/08/19.
• 3、 Dhamodharan,Sathya,Dhandapani. "Studies on synthesis, structural, luminescent and thermal properties of a new non-linear optical crystal: 4-amino-4H-1,2,4-triazol-1-ium-3-hydroxy-2,4,6-trinitrophenolate". . p. 33 - 40. Retrieved 2016/12/26.