5-Methyl-2-nitrobenzoic acid

Base Information Edit

Chemical Name:5-Methyl-2-nitrobenzoic acid
CAS No.:3113-72-2
Molecular Formula:C8H7NO4
Molecular Weight:181.148
Hs Code.:H7NO4 2916.39
European Community (EC) Number:221-481-5
NSC Number:38067
UN Number:2811
UNII:M9473083XH
DSSTox Substance ID:DTXSID1025643
Nikkaji Number:J897D
Wikidata:Q27283681
Mol file:3113-72-2.mol

Synonyms:5-Methyl-2-nitrobenzoic acid;3113-72-2;2-Nitro-5-methylbenzoic acid;3-Methyl-6-nitrobenzoic acid;Benzoic acid, 5-methyl-2-nitro-;6-Nitro-m-toluic acid;m-Toluic acid, 6-nitro-;6-Nitro-p-toluic acid;5-Methyl-2-nitro-benzoic acid;EINECS 221-481-5;MFCD00007368;NSC 38067;UNII-M9473083XH;NSC-38067;M9473083XH;5-Methyl-2-nitrobenzoicacid;2-Nitro-5-methylbenzoicacid;SCHEMBL149316;2-Nitro-5-Methyl benzoic acid;5-Methyl-2-Nitro Benzoic Acid;DTXSID1025643;BCP24470;NSC38067;CL8129;5-Methyl-2-nitrobenzoic acid, 95%;AKOS015888126;AKOS015919496;AC-4000;CS-W017166;LS-1171;PS-6298;METHYL-2-NITROBENZOIC ACID, 5-;SY005380;A5646;AM20060336;FT-0600634;N0470;EN300-91509;J-018253;Q27283681;Z1255419193

Suppliers and Price of 5-Methyl-2-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

TRC
5-Methyl-2-nitrobenzoic acid
5g
$ 60.00

TCI Chemical
5-Methyl-2-nitrobenzoic Acid >98.0%(T)
25g
$ 48.00

TCI Chemical
5-Methyl-2-nitrobenzoic Acid >98.0%(T)
5g
$ 38.00

SynQuest Laboratories
5-Methyl-2-nitrobenzoic acid
25 g
$ 20.00

SynQuest Laboratories
5-Methyl-2-nitrobenzoic acid
10 g
$ 16.00

Sigma-Aldrich
5-Methyl-2-nitrobenzoic acid 95%
25g
$ 159.00

Sigma-Aldrich
5-Methyl-2-nitrobenzoic acid 95%
5g
$ 47.90

Oakwood
2-Nitro-5-methylbenzoicacid 97%
25g
$ 15.00

Oakwood
2-Nitro-5-methylbenzoicacid 97%
5g
$ 10.00

Matrix Scientific
2-Nitro-5-methylbenzoic acid 95+%
100g
$ 559.00

Total 106 raw suppliers

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

Chemical Property:

Appearance/Colour:off-white crystalline powder
Vapor Pressure:4.72E-06mmHg at 25°C
Melting Point:134-136 °C(lit.)
Refractive Index:1.6
Boiling Point:363.8 °C at 760 mmHg
PKA:2.21±0.25(Predicted)
Flash Point:165 °C
PSA：83.12000
Density:1.392 g/cm³
LogP:2.12460
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:4.7g/L(20 oC)
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% ^*data from raw suppliers

5-Methyl-2-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39-37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
Uses 5-Methyl-2-nitrobenzoic acid is used in the preparation of methyl-N-(5-methyl-2-nitrophenyl) carbamate.

Technology Process of 5-Methyl-2-nitrobenzoic acid

There total 15 articles about 5-Methyl-2-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: 54.0%