2,4,6-Trinitrobenzoic acid

Base Information Edit

Chemical Name:2,4,6-Trinitrobenzoic acid
CAS No.:129-66-8
Molecular Formula:C7H3 N3 O8
Molecular Weight:257.116
Hs Code.:2916399090
European Community (EC) Number:204-958-2
NSC Number:133453
UN Number:0215,1355,3368
UNII:134ID308V9
DSSTox Substance ID:DTXSID70861781
Nikkaji Number:J5.426G
Wikipedia:2,4,6-Trinitrobenzoic_acid
Wikidata:Q209194
Mol file:129-66-8.mol

Synonyms:2,4,6-TRINITROBENZOIC ACID;129-66-8;Trinitrobenzoic acid;s-Trinitrobenzoic acid;Benzoic acid, 2,4,6-trinitro-;Sym-trinitrobenzoic acid;Benzoic acid, trinitro- (dry);Benzoic acid, trinitro- (wet);UN0215;NSC 133453;Trinitrobenzoic acid (VAN);CCRIS 9296;UNII-134ID308V9;HSDB 1010;EINECS 204-958-2;UN1355;134ID308V9;NSC-133453;Trinitrobenzoic acid, dry or wetted with < 30% water, by mass;TNBA;Benzoic acid, trinitro-;Trinitrobenzoic acid, dry;Trinitrobenzoic acid, wet;2,6-Trinitrobenzoic acid;Benzoic acid,4,6-trinitro-;UN 0215 (Salt/Mix);UN 1355 (Salt/Mix);2,4,6-trinitro-benzoic acid;C7H3N3O8;SCHEMBL1649527;DTXSID70861781;C7-H3-N3-O8;NA0215;NA1355;NSC133453;STK696225;UN3368;AKOS000114542;BENZOIC ACID,2,4,6-TRINITRO;UN-0215;Trinitrobenzoic acid, dry or wetted with <30% water, by mass [UN0215] [Explosive 1.1D];1-CARBOXY-2,4,6-TRINITROBENZENE;2,4,6-TRINITROBENZOIC ACID [MI];LS-191176;FT-0609914;Q209194;W-108358;F0907-8300;Trinitrobenzoic acid, wetted with not <30% water, by mass;Trinitrobenzoic acid, dry or wetted with <30% water, by mass;Trinitrobenzoic acid, wetted with not <30% water, by mass [UN1355] [Flammable solid]

Suppliers and Price of 2,4,6-Trinitrobenzoic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 10 raw suppliers

Chemical Property of 2,4,6-Trinitrobenzoic acid Edit

Chemical Property:

Appearance/Colour:clear yellow to brownish liquid
Vapor Pressure:2.3E-08mmHg at 25°C
Melting Point:232℃
Refractive Index:1.5500 (estimate)
Boiling Point:435.8°Cat760mmHg
PKA:0.42, 0.65(at 25℃)
Flash Point:193.6°C
PSA：174.76000
Density:1.87g/cm³
LogP:2.67900
Solubility.:Solubility Solubler in water, ethanol, methanol, ether, acetone
Water Solubility.:20.12g/L(23.5 oC)
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:256.99201406
Heavy Atom Count:18
Complexity:369
Transport DOT Label:Explosive 1.1D,Flammable Solid

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s): Dangerous, explodes by heat or shock.
Hazard Codes:Dangerous, explodes by heat or shock.

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitrobenzoic Acids
Canonical SMILES:C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
Uses Explosive compositions. 2,4,6-Trinitrobenzoic Acid is used in preparation of Trimethylbenzoyl Chloride.

Technology Process of 2,4,6-Trinitrobenzoic acid

There total 13 articles about 2,4,6-Trinitrobenzoic 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: 88.0%