3-Methyl-2-nitrobenzoic acid

Base Information Edit

Chemical Name:3-Methyl-2-nitrobenzoic acid
CAS No.:5437-38-7
Molecular Formula:C8H7NO4
Molecular Weight:181.148
Hs Code.:29163990
European Community (EC) Number:226-610-9
NSC Number:16048
UN Number:2811
UNII:61WOP984AB
DSSTox Substance ID:DTXSID6025640
Nikkaji Number:J920B
Wikidata:Q27263392
ChEMBL ID:CHEMBL1481036
Mol file:5437-38-7.mol

Synonyms:3-METHYL-2-NITROBENZOIC ACID;5437-38-7;2-Nitro-m-toluic acid;2-Nitro-3-methylbenzoic acid;Benzoic acid, 3-methyl-2-nitro-;EINECS 226-610-9;NSC 16048;UNII-61WOP984AB;61WOP984AB;DTXSID6025640;MFCD00007180;NSC-16048;3-Methyl-2-nitrobenzoicacid;3-methyl-2-nitro-benzoic acid;NSC16048;m-Toluic acid, 2-nitro-;MLS002152883;SCHEMBL385272;2-nitro-3-methyl benzoic acid;2-nitro-3-methyl-benzoic acid;DTXCID905640;CHEMBL1481036;HMS3039K16;BCP07125;CS-D1497;STR05118;Tox21_200852;CX1289;STK498737;3-Methyl-2-nitrobenzoic acid, 98%;AKOS000120838;AB00851;AC-5776;LS-1345;METHYL-2-NITROBENZOIC ACID, 3-;NCGC00091591-01;NCGC00091591-02;NCGC00258406-01;SMR001224496;SY001287;CAS-5437-38-7;A7902;AM20060665;FT-0616069;M1370;EN300-20797;M-4210;AE-562/43460712;J-512839;Q27263392;F8889-4351;Z104482584

Suppliers and Price of 3-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
2-Nitro-m-toluicAcid
50g
$ 165.00

TCI Chemical
3-Methyl-2-nitrobenzoic Acid >98.0%(T)
250g
$ 306.00

TCI Chemical
3-Methyl-2-nitrobenzoic Acid >98.0%(T)
25g
$ 60.00

SynQuest Laboratories
3-Methyl-2-nitrobenzoic acid
25 g
$ 21.00

SynQuest Laboratories
3-Methyl-2-nitrobenzoic acid
100 g
$ 55.00

Sigma-Aldrich
3-Methyl-2-nitrobenzoic acid 98%
100g
$ 69.00

Sigma-Aldrich
3-Methyl-2-nitrobenzoic acid 98%
25g
$ 35.00

Medical Isotopes, Inc.
2-Nitro-m-toluicAcid
250 g
$ 850.00

Matrix Scientific
3-Methyl-2-nitrobenzoic acid 95+%
25g
$ 15.00

Matrix Scientific
3-Methyl-2-nitrobenzoic acid 95+%
100g
$ 49.00

Total 165 raw suppliers

Chemical Property of 3-Methyl-2-nitrobenzoic acid Edit

Chemical Property:

Appearance/Colour:white to slightly yellow crystalline powder
Vapor Pressure:3.44E-05mmHg at 25°C
Melting Point:219-223 °C
Refractive Index:1.5468 (estimate)
Boiling Point:339.958 °C at 760 mmHg
PKA:2.26±0.10(Predicted)
Flash Point:153.358 °C
PSA：83.12000
Density:1.393 g/cm³
LogP:2.12460
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:<0.1 g/100 mL at 22℃
XLogP3:1.6
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

2-Nitro-m-toluicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitrobenzoic Acids
Canonical SMILES:CC1=C(C(=CC=C1)C(=O)O)[N+](=O)[O-]
Uses 2-Nitro-m-toluic Acid, is a building block used for the synthesis of various compounds. It can be used for the synthesis of novel Indolin-2-one derivatives as protein tyrosine phosphatase 1B inhibitors.

Technology Process of 3-Methyl-2-nitrobenzoic acid

There total 20 articles about 3-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: 80.96%