2-Methyl-5-nitrobenzoic acid

Base Information Edit

Chemical Name:2-Methyl-5-nitrobenzoic acid
CAS No.:1975-52-6
Molecular Formula:C8H7NO4
Molecular Weight:181.148
Hs Code.:29163900
European Community (EC) Number:217-829-0
UN Number:2811
DSSTox Substance ID:DTXSID2025638
Nikkaji Number:J26.933F
Wikidata:Q72493450
ChEMBL ID:CHEMBL2179896
Mol file:1975-52-6.mol

Synonyms:2-METHYL-5-NITROBENZOIC ACID;1975-52-6;5-Nitro-o-toluic acid;Benzoic acid, 2-methyl-5-nitro-;5-nitro-2-methylbenzoic acid;EINECS 217-829-0;MFCD00007371;o-Toluic acid, 5-nitro-, dimer;133232-68-5;2-Methyl-5-nitro-benzoic acid;2-Methyl-5-nitro benzoic acid;2methyl-5-nitrobenzoic acid;3-Nitro-6-methylbenzoic acid;SCHEMBL501960;2- methyl-5-nitrobenzoic acid;2-methyl -5-nitrobenzoic acid;5-nitro-2-methyl-benzoic acid;CHEMBL2179896;DTXSID2025638;BCP24495;CS-D1385;LS-977;2-Methyl-5-nitrobenzoic acid, 97%;AKOS005175113;AC-3999;DS-0843;PS-5954;BP-12489;SY005149;AM20060335;FT-0620717;M1716;EN300-22001;AA-504/06582027;W-206451;F1091-0004;Z147641998

Suppliers and Price of 2-Methyl-5-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

Acrotein
2-Methyl-5-nitrobenzoic Acid 97%
250g
$ 280.50

AHH
2-Methyl-5-nitrobenzoic Acid 99%
25g
$ 290.00

AK Scientific
2-Methyl-5-nitrobenzoic Acid
500g
$ 261.00

AK Scientific
2-Methyl-5-nitrobenzoic Acid
5g
$ 15.00

AK Scientific
2-Methyl-5-nitrobenzoic Acid
25g
$ 26.00

Alfa Aesar
2-Methyl-5-nitrobenzoic acid, 98+%
1g
$ 25.70

Alfa Aesar
2-Methyl-5-nitrobenzoic acid, 98+%
5g
$ 86.40

Alfa Aesar
2-Methyl-5-nitrobenzoic acid, 98+%
25g
$ 320.00

Alichem
2-Methyl-5-nitrobenzoic Acid
250mg
$ 499.20

Alichem
2-Methyl-5-nitrobenzoic Acid
500mg
$ 815.00

Total 91 raw suppliers

Chemical Property of 2-Methyl-5-nitrobenzoic acid Edit

Chemical Property:

Appearance/Colour:light yellow solid
Vapor Pressure:7.78E-06mmHg at 25°C
Melting Point:177-180 °C(lit.)
Refractive Index:1.5468 (estimate)
Boiling Point:360.8 °C at 760 mmHg
PKA:3.12±0.10(Predicted)
Flash Point:163.5 °C
PSA：83.12000
Density:1.392 g/cm³
LogP:2.12460
Storage Temp.:-20°C Freezer
Solubility.:Chloroform
Water Solubility.:<0.1 g/100 mL at 22℃
XLogP3:2.1
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% ^*data from raw suppliers

2-Methyl-5-nitrobenzoic Acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 22-43-36/37/38-20/21/22
Safety Statements: 37/39-36/37/39-26-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Uses 2-Methyl-5-nitrobenzoic Acid (cas# 1975-52-6) is a compound useful in organic synthesis.

Technology Process of 2-Methyl-5-nitrobenzoic acid

There total 15 articles about 2-Methyl-5-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: 98.0%

: 77324-87-9
methyl 2-methyl-5-nitrobenzoate

: 1975-52-6
5-nitro-o-toluic acid

Guidance literature:: With lithium hydroxide; water; at 23 ℃; for 12h;
DOI:10.1016/j.bmcl.2008.09.081

Reference yield: 90.0%

: 99-51-4,34527-23-6,156617-88-8
4-nitro-o-xylene

: 1975-52-6
5-nitro-o-toluic acid

Guidance literature:: With ruthenium(II) chloride; sodium hydroxide; sodium hypochlorite; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; at 25 ℃; for 2h;
DOI:10.1039/a707676b