4-Methyl-3,5-dinitrobenzoic acid

Base Information Edit

Chemical Name:4-Methyl-3,5-dinitrobenzoic acid
CAS No.:16533-71-4
Molecular Formula:C8H6N2O6
Molecular Weight:226.145
Hs Code.:29163990
European Community (EC) Number:240-603-8
NSC Number:5589
UNII:HPM5AZ39WE
DSSTox Substance ID:DTXSID10167931
Nikkaji Number:J139.266B
Wikidata:Q72472532
Mol file:16533-71-4.mol

Synonyms:16533-71-4;4-Methyl-3,5-dinitrobenzoic acid;3,5-Dinitro-4-methylbenzoic acid;3,5-Dinitro-p-toluic acid;Benzoic acid, 4-methyl-3,5-dinitro-;3,5-Dinitro-4-Methyl Benzoic Acid;p-Toluic acid, 3,5-dinitro-;HPM5AZ39WE;AI3-14622;NSC-5589;EINECS 240-603-8;NSC5589;UNII-HPM5AZ39WE;p-Toluic acid,5-dinitro-;Oprea1_642861;SCHEMBL503451;4-Methyl-3,5-dinitrobenzoicacid;DTXSID10167931;NSC 5589;BBL008969;MFCD00007175;STK370412;AKOS000114109;AKOS040744584;UPCMLD0ENAT5885946:001;4-Methyl-3,5-dinitrobenzoic acid, 98%;AC-28566;AS-14518;BB 0256450;D3291;FT-0637374;EN300-20721;AN-970/40920438;W-107935;Z104480226

Suppliers and Price of 4-Methyl-3,5-dinitrobenzoic 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

TRC
3,5-Dinitro-4-methylbenzoicAcid
250mg
$ 45.00

TCI Chemical
4-Methyl-3,5-dinitrobenzoic Acid >98.0%(GC)(T)
25g
$ 118.00

SynQuest Laboratories
3,5-Dinitro-4-methylbenzoic acid 95%
25 g
$ 181.00

SynQuest Laboratories
3,5-Dinitro-4-methylbenzoic acid 95%
50 g
$ 303.00

Sigma-Aldrich
4-Methyl-3,5-dinitrobenzoic acid 98%
25g
$ 97.70

Matrix Scientific
3,5-Dinitro-4-methylbenzoic acid 97%
1g
$ 37.00

Frontier Specialty Chemicals
3,5-Dinitro-p-toluicacid 98%
5g
$ 27.00

Biosynth Carbosynth
3,5-Dinitro-4-methylbenzoic acid
250 g
$ 225.00

Biosynth Carbosynth
3,5-Dinitro-4-methylbenzoic acid
100 g
$ 112.00

Biosynth Carbosynth
3,5-Dinitro-4-methylbenzoic acid
50 g
$ 70.00

Total 72 raw suppliers

Chemical Property of 4-Methyl-3,5-dinitrobenzoic acid Edit

Chemical Property:

Appearance/Colour:yellow crystalline powder
Vapor Pressure:5.41E-07mmHg at 25°C
Melting Point:155-158 °C(lit.)
Boiling Point:396.3 °C at 760 mmHg
PKA:2.95±0.10(Predicted)
Flash Point:176.1 °C
PSA：128.94000
Density:1.593 g/cm³
LogP:2.55600
Storage Temp.:Flammables area
Solubility.:methanol: soluble250mg/10 mL, clear, faintly yellow to yellow
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:226.02258592
Heavy Atom Count:16
Complexity:296

Purity/Quality:

99.0% min ^*data from raw suppliers

3,5-Dinitro-4-methylbenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitrobenzoic Acids
Canonical SMILES:CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]
Uses 4-Methyl-3,5-dinitrobenzoic acid was used in characterization of the range of highly polar nitroaromatic compounds in water samples from a trinitrotoluene-contaminated waste disposal site. It was used as starting reagent for the asymmetric synthesis of the benzazocine core of FR900482.

Technology Process of 4-Methyl-3,5-dinitrobenzoic acid

There total 24 articles about 4-Methyl-3,5-dinitrobenzoic 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: