4-(Methoxycarbonyl)-3-nitrobenzoic acid

Base Information Edit

Chemical Name:4-(Methoxycarbonyl)-3-nitrobenzoic acid
CAS No.:35092-89-8
Molecular Formula:C9H7NO6
Molecular Weight:225.158
Hs Code.:29173990
European Community (EC) Number:252-360-5
NSC Number:151109
DSSTox Substance ID:DTXSID30956526
Nikkaji Number:J289.899C
Wikidata:Q82936609
Mol file:35092-89-8.mol

Synonyms:35092-89-8;4-(methoxycarbonyl)-3-nitrobenzoic acid;1-Methyl 2-nitroterephthalate;4-methoxycarbonyl-3-nitrobenzoic acid;Methyl hydrogen 2-nitroterephthalate;EINECS 252-360-5;2-nitroterephthalic acid 1-methyl ester;EC 252-360-5;3-Nitro-4-carbomethoxybenzoic acid;1-METHYL2-NITROTEREPHTHALATE;MFCD00024510;NSC151109;2-Nitroterephthalic acid hydrogen 1-methyl ester;SCHEMBL161836;DTXSID30956526;Methyl 2-nitro-4-carboxybenzoate;Methyl-2-nitro-4-carboxy-benzoate;BCP23595;4-carbomethoxy-3-nitro-benzoic acid;1-Methyl 2-nitroterephthalate, 97%;AKOS015889579;4-(methoxycarbonyl)-3-nitrobenzoicacid;NSC 151109;NSC-151109;5-carboxy-2-methoxycarbonyl-nitrobenzene;AS-12303;CS-0204354;FT-0616219;EN300-233793;W-110855;4-(Methoxycarbonyl)-3-nitrobenzoic acid

Suppliers and Price of 4-(Methoxycarbonyl)-3-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
1-Methyl 2-nitroterephthalate
50mg
$ 60.00

SynQuest Laboratories
4-(Methoxycarbonyl)-3-nitrobenzoic acid 95%
25 g
$ 200.00

SynQuest Laboratories
4-(Methoxycarbonyl)-3-nitrobenzoic acid 95%
5 g
$ 120.00

Sigma-Aldrich
1-Methyl 2-nitroterephthalate 97%
5g
$ 46.50

Frontier Specialty Chemicals
1-Methyl 2-nitroterephthalate 97%
5g
$ 45.00

Crysdot
4-(Methoxycarbonyl)-3-nitrobenzoicacid 97%
100g
$ 306.00

American Custom Chemicals Corporation
1-METHYL 2-NITROTEREPHTHALATE 95.00%
25G
$ 1155.92

American Custom Chemicals Corporation
1-METHYL 2-NITROTEREPHTHALATE 95.00%
10G
$ 1112.27

American Custom Chemicals Corporation
1-METHYL 2-NITROTEREPHTHALATE 95.00%
5G
$ 791.50

Alfa Aesar
2-Nitroterephthalic acid 1-methyl ester, 97%
5g
$ 39.80

Total 34 raw suppliers

Chemical Property of 4-(Methoxycarbonyl)-3-nitrobenzoic acid Edit

Chemical Property:

Vapor Pressure:6.81E-07mmHg at 25°C
Melting Point:176-178 °C(lit.)
Refractive Index:1.594
Boiling Point:393.4 °C at 760 mmHg
PKA:3.09±0.10(Predicted)
Flash Point:191.7 °C
PSA：109.42000
Density:1.484 g/cm³
LogP:1.60280
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:225.02733694
Heavy Atom Count:16
Complexity:310

Purity/Quality:

98% ^*data from raw suppliers

1-Methyl 2-nitroterephthalate ^*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

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:COC(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Technology Process of 4-(Methoxycarbonyl)-3-nitrobenzoic acid

There total 5 articles about 4-(Methoxycarbonyl)-3-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: 88.0%

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

: 35092-89-8
4-(methoxycarbonyl)-3-nitrobenzoic acid

Guidance literature:: 1,4-benzenedicarboxylic acid dimethyl ester; With tetrabutyl-ammonium chloride; nitric acid; In 1,2-dichloro-ethane; at 40 ℃; for 5h;

With acetic acid; In water; at 90 ℃; for 7h; Temperature; Solvent;