3-Methyl-4-nitrobenzoic acid

Base Information Edit

Chemical Name:3-Methyl-4-nitrobenzoic acid
CAS No.:3113-71-1
Molecular Formula:C8H7NO4
Molecular Weight:181.148
Hs Code.:H7NO4 2916.39
European Community (EC) Number:221-479-4
NSC Number:28455
UN Number:2811
UNII:ELP258JXH0
DSSTox Substance ID:DTXSID1025641
Nikkaji Number:J208.697B
Wikidata:Q27277230
ChEMBL ID:CHEMBL1329280
Mol file:3113-71-1.mol

Synonyms:3-Methyl-4-nitrobenzoic acid;3113-71-1;4-Nitro-m-toluic acid;Benzoic acid, 3-methyl-4-nitro-;m-Toluic acid, 4-nitro-;3-Methyl-4-nitrobenzoicacid;MFCD00007168;EINECS 221-479-4;NSC 28455;UNII-ELP258JXH0;ELP258JXH0;4-nitro-3-methylbenzoic acid;DTXSID1025641;NSC-28455;NSC28455;3-METHYL-4-NITRO-BENZOIC ACID;MLS002152884;SCHEMBL264768;3 -methyl-4-nitrobenzoic acid;4-Nitro-3-methyl-benzoic acid;DTXCID305641;CHEMBL1329280;HMS3039I15;BCP30871;STR05311;M-METHYL-P-NITROBENZOIC ACID;Tox21_200835;BBL019292;STK984107;3-Methyl-4-nitrobenzoic acid, 99%;AKOS000119341;AC-3104;CS-W017165;LS-1170;METHYL-4-NITROBENZOIC ACID, 3-;NCGC00091302-01;NCGC00091302-02;NCGC00258389-01;SMR001224497;CAS-3113-71-1;A5645;AM20060269;FT-0616090;M0565;EN300-18333;F52603;M-4215;AE-562/43460711;Q27277230;Z57914810;F2191-0047;3-Methyl-4-nitro-benzoic acid;4-Nitro-m-toluic acid pound>>m-Toluic acid, 4-nitro- pound>>Benzoic acid, 3-methyl-4-nitro-

Suppliers and Price of 3-Methyl-4-nitrobenzoic 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

Usbiological
3-Methyl-4-nitrobenzoic acid
25g
$ 275.00

TRC
3-Methyl-4-nitrobenzoic Acid
10g
$ 85.00

TCI Chemical
3-Methyl-4-nitrobenzoic Acid >98.0%(T)(HPLC)
500g
$ 163.00

TCI Chemical
3-Methyl-4-nitrobenzoic Acid >98.0%(T)(HPLC)
25g
$ 21.00

SynQuest Laboratories
3-Methyl-4-nitrobenzoic acid
100 g
$ 40.00

SynQuest Laboratories
3-Methyl-4-nitrobenzoic acid
25 g
$ 15.00

Sigma-Aldrich
3-Methyl-4-nitrobenzoic acid 99%
25g
$ 27.10

Matrix Scientific
3-Methyl-4-nitrobenzoic acid 95+%
100g
$ 61.00

Matrix Scientific
3-Methyl-4-nitrobenzoic acid 95+%
10g
$ 24.00

Frontier Specialty Chemicals
3-Methyl-4-nitrobenzoic Acid 99%
500g
$ 228.00

Total 170 raw suppliers

Chemical Property of 3-Methyl-4-nitrobenzoic acid Edit

Chemical Property:

Appearance/Colour:white to light yellow crystal powder
Vapor Pressure:1.1E-05mmHg at 25°C
Melting Point:216-218 °C(lit.)
Refractive Index:1.5468 (estimate)
Boiling Point:356 °C at 760 mmHg
PKA:3.49±0.10(Predicted)
Flash Point:161.2 °C
PSA：83.12000
Density:1.392 g/cm³
LogP:2.12460
Storage Temp.:Store below +30°C.
Solubility.:slightly sol. in Alcohol
Water Solubility.:<0.1 g/100 mL at 22℃
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:181.03750770
Heavy Atom Count:13
Complexity:223
Transport DOT Label:Poison

Purity/Quality:

99.0% min ^*data from raw suppliers

3-Methyl-4-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,Xn
Hazard Codes:Xi,Xn
Statements: 36/37/38-20/21/22
Safety Statements: 26-36-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Uses 3-Methyl-4-nitrobenzoic Acid is used as a reagent in the synthesis of influenza neuraminidase inhibitors with pyrrolidinobenzoic acid scaffold containing lipophilic side chains.

Technology Process of 3-Methyl-4-nitrobenzoic acid

There total 30 articles about 3-Methyl-4-nitrobenzoic 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: 100.0%