3,5-DIMETHYL-4-NITROBENZOIC ACID

Base Information

• Chemical Name: 3,5-DIMETHYL-4-NITROBENZOIC ACID
• CAS No.: 3095-38-3
• Molecular Formula: C9H9 N O4
• Molecular Weight: 195.175
• Hs Code.: 2916399090
• Mol file: 3095-38-3.mol

Synonyms:3,5-Dimethyl-4-nitrobenzoicacid; 4-Nitro-3,5-dimethylbenzoic acid; NSC 67705

Chemical Property of 3,5-DIMETHYL-4-NITROBENZOIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 221-223°C
• Boiling Point: 356.5°Cat760mmHg
• PKA: 3.56±0.10(Predicted)
• Flash Point: 157.9°C
• PSA: 83.12000
• Density: 1.333g/cm³
• LogP: 2.43300
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water.

Purity/Quality:

99% ^*data from raw suppliers

3,5-DIMETHYL-4-NITROBENZOIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3,5-Dimethyl-4-nitrobenzoic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 3,5-DIMETHYL-4-NITROBENZOIC ACID

There total 10 articles about 3,5-DIMETHYL-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: 99.0%

nitromesitylene (603-71-4,34505-32-3,82795-90-2) → 3,5-dimethyl-4-nitrobenzoic acid (3095-38-3)

Guidance literature:

With chromium(VI) oxide; acetic acid; Reflux;

DOI:10.1039/c4ob00923a

Reference yield:

1,3,5-trimethyl-benzene (108-67-8) → 3,5-dimethylbenzoic acid (499-06-9) + 3,5-dimethyl-4-nitrobenzoic acid (3095-38-3)

Guidance literature:

With nitric acid;

Reference yield:

nitric acid (7697-37-2,78989-43-2) + 1,3,5-trimethyl-benzene (108-67-8) → 3,5-dimethylbenzoic acid (499-06-9) + 5-methylisophthalic aicd (499-49-0) + 3,5-dimethyl-4-nitrobenzoic acid (3095-38-3)

Guidance literature:

upstream raw materials:

3,5-dimethylbenzoic acid

nitromesitylene

1,3,5-trimethyl-benzene

nitric acid

Downstream raw materials:

3,5-dimethyl-4-nitrobenzoic acid ethyl ester

3,5-dimethyl-4-nitroaniline

3,5-dimethyl-4-nitrobenzoic acid chloride

3,5-dimethyl-4-nitro-benzoic acid methyl ester

Refernces

• 1、 Ieda, Naoya,Hishikawa, Kazuhiro,Eto, Kei,Kitamura, Kai,Kawaguchi, Mitsuyasu,Suzuki, Takayoshi,Fukuhara, Kiyoshi,Miyata, Naoki,Furuta, Toshiaki,Nabekura, Junichi,Nakagawa, Hidehiko. "A double bond-conjugated dimethylnitrobenzene-type photolabile nitric oxide donor with improved two-photon cross section". supporting information. p. 3172 - 3175. Retrieved 2015/07/08.
• 2、 Kitamura, Kai,Ieda, Naoya,Hishikawa, Kazuhiro,Suzuki, Takayoshi,Miyata, Naoki,Fukuhara, Kiyoshi,Nakagawa, Hidehiko. "Visible light-induced nitric oxide release from a novel nitrobenzene derivative cross-conjugated with a coumarin fluorophore". supporting information. p. 5660 - 5662. Retrieved 2015/01/08.