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3,5-Dimethyl-4-nitrobenzoic acid is an organic compound characterized by its molecular structure featuring a benzoic acid backbone with methyl groups at the 3rd and 5th positions and a nitro group at the 4th position. It is a versatile chemical intermediate with a wide range of applications across different industries due to its unique properties.

3095-38-3

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3095-38-3 Usage

Uses

Used in Organic Synthesis:
3,5-Dimethyl-4-nitrobenzoic acid is used as a key intermediate for the synthesis of various organic compounds. Its presence in the molecular structure allows for further functionalization and modification, making it a valuable building block in the creation of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 3,5-Dimethyl-4-nitrobenzoic acid is utilized as a starting material for the development of new drugs. Its unique structure can be modified to create active pharmaceutical ingredients (APIs) with specific therapeutic properties, contributing to the advancement of medicinal chemistry.
Used in Agrochemicals:
3,5-Dimethyl-4-nitrobenzoic acid is employed as a crucial component in the formulation of agrochemicals, such as pesticides and herbicides. Its chemical properties enable it to be incorporated into these products to enhance their effectiveness in controlling pests and weeds, thereby improving crop yields and quality.
Used in Dyestuff Industry:
In the dyestuff industry, 3,5-Dimethyl-4-nitrobenzoic acid is used as a raw material for the production of various dyes and pigments. Its chemical structure allows for the creation of a diverse range of colorants that can be used in different applications, such as textiles, plastics, and printing inks, to impart vibrant and long-lasting colors.

Check Digit Verification of cas no

The CAS Registry Mumber 3095-38-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,0,9 and 5 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 3095-38:
(6*3)+(5*0)+(4*9)+(3*5)+(2*3)+(1*8)=83
83 % 10 = 3
So 3095-38-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H9NO4/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)

3095-38-3 Well-known Company Product Price

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  • Alfa Aesar

  • (L02704)  3,5-Dimethyl-4-nitrobenzoic acid, 97%   

  • 3095-38-3

  • 1g

  • 746.0CNY

  • Detail
  • Alfa Aesar

  • (L02704)  3,5-Dimethyl-4-nitrobenzoic acid, 97%   

  • 3095-38-3

  • 5g

  • 2654.0CNY

  • Detail

3095-38-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,5-DIMETHYL-4-NITROBENZOIC ACID

1.2 Other means of identification

Product number -
Other names 1-nitro-2,6-dimethylbenzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3095-38-3 SDS

3095-38-3Relevant academic research and scientific papers

POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS

-

, (2018/10/11)

The present invention provides a genus of polycyclic amines that are useful as opioid receptor modulators. The compounds of the invention are useful in both therapeutic and diagnostic methods, including for treating pain, neurological disorders, cardiac disorders, bowel disorders, drug and alcohol addiction, drug overdose, urinary disorders, respiratory disorders, sexual dysfunction, psoriasis, graft rejection or cancer.

A double bond-conjugated dimethylnitrobenzene-type photolabile nitric oxide donor with improved two-photon cross section

Ieda, Naoya,Hishikawa, Kazuhiro,Eto, Kei,Kitamura, Kai,Kawaguchi, Mitsuyasu,Suzuki, Takayoshi,Fukuhara, Kiyoshi,Miyata, Naoki,Furuta, Toshiaki,Nabekura, Junichi,Nakagawa, Hidehiko

supporting information, p. 3172 - 3175 (2015/07/08)

Abstract Photocontrollable NO donors enable precise spatiotemporal release of NO under physiological conditions. We designed and synthesized a novel dimethylnitrobenzene-type NO donor, Flu-DNB-DB, which contains a carbon-carbon double bond in place of the

Chemoselective reduction and self-immolation based FRET probes for detecting hydrogen sulfide in solution and in cells

Chen, Bifeng,Wang, Peng,Jin, Qingqing,Tang, Xinjing

, p. 5629 - 5633 (2014/07/22)

Hydrogen sulfide (H2S) has been regarded as the third gaseous transmitter. Based on the mechanism of chemoselective azido reduction and self-immolation, five fluorescence resonance energy transfer (FRET) probes for the detection of H2S were designed and synthesized. The effect of functional substitution of the self-immolative moiety on azido reduction and quinone-methide rearrangement were investigated. Their fluorescence responses and chemoselectivity for H2S detection were evaluated in solutions and in cells. This strategy may provide a general route for designing H 2S probes with many commercially available FRET pairs. the Partner Organisations 2014.

Visible light-induced nitric oxide release from a novel nitrobenzene derivative cross-conjugated with a coumarin fluorophore

Kitamura, Kai,Ieda, Naoya,Hishikawa, Kazuhiro,Suzuki, Takayoshi,Miyata, Naoki,Fukuhara, Kiyoshi,Nakagawa, Hidehiko

supporting information, p. 5660 - 5662 (2015/01/08)

Nitric oxide (NO) is a well-known free-radical molecule which is endogenously biosynthesised and shows various functions in mammals. To investigate NO functions, photocontrollable NO donors, compounds which release NO in response to light, are expected to

Peroxynitrite generation from a NO-releasing nitrobenzene derivative in response to photoirradiation

Ieda, Naoya,Nakagawa, Hidehiko,Horinouchi, Taeko,Peng, Tao,Yang, Dan,Tsumoto, Hiroki,Suzuki, Takayoshi,Fukuhara, Kiyoshi,Miyata, Naoki

supporting information; experimental part, p. 6449 - 6451 (2011/06/27)

Photocontrollable ONOO- generation from a nitrobenzene derivative was demonstrated. The designed compound released NO in response to photoirradiation, and the resulting semiquinone reduced molecular oxygen to generate O2-; reaction of the two generated ONOO -, as confirmed with an ONOO- fluorescent probe, HKGreen-3.

Effect of the ortho modification of azobenzene on the photoregulatory efficiency of DNA hybridization and the thermal stability of its eis form

Nishioka, Hidenori,Liang, Xingguo,Asanuma, Hiroyuki

supporting information; experimental part, p. 2054 - 2062 (2010/07/05)

We synthesized various azobenzenes methylated at their ortho positions with respect to the azo bond for more effective photoregulation of DNA hybridization. Photoregulatory efficiency, evaluated from the change of T m (ΔTm) induced by trans-cis isomerization, was significantly improved for all ortho-modified azobenzenes compared with non-modified azobenzene due to the more stabilized trans form and the more destabilized cis form. Among the synthesized azobenzenes, 4-carboxy-2',6'- dimethylazobenzene (2',6'-Me-Azo), in which two ortho positions of the distal benzene ring with respect to carboxyl group were methylated, exhibited the largest ΔTm, whereas the newly synthesized 2,6-Me-Azo (4-carboxy-2,6- dimethylazobenzene), which possesses two methyl groups on the two ortho positions of the other benzene ring, showed moderate improvement of ΔTm. Both NMR spectroscopic analysis and computer modeling revealed that the two methyl groups on 2',6'-Me-Azo were located near the imino protons of adjacent base pairs; these stabilized the DNA duplex by stacking interactions in the trans form and destabilized the DNA duplex by steric hindrance in the cis form. In addition, the thermal stability of cis-2',6'-Me-Azo was also greatly improved, but not that of cis2,6-Me-Azo. Solvent effects on the half-life of the cis form demonstrated that cis-to-trans isomerization of all the modified azobenzenes proceeded through an inversion route. Improved thermal stability of 2',6'-Me-Azo but not 2,6-Me-Azo in the eis form was attributed to the retardation of the inversion process due to steric hindrance between lone pair electrons of the π orbital of the nitrogen atom and the methyl group on the distal benzene ring.

NOVEL ACYLAMINOBENZAMIDE DERIVATIVES

-

Page/Page column 74, (2010/04/03)

The present invention relates to novel Acylaminobenzamide derivatives represented by the following formula (I) and use thereof as pesticides: wherein V represents an aromatic ring group of V1 to V5 described in the detailed description, Q represents an ar

Photoinduced nitric oxide release from a hindered nitrobenzene derivative by two-photon excitation

Hishikawa, Kazuhiro,Nakagawa, Hidehiko,Furuta, Toshiaki,Fukuhara, Kiyoshi,Tsumoto, Hiroki,et al.

supporting information; experimental part, p. 7488 - 7489 (2009/10/16)

(Chemical Equation Presented) Here, we demonstrated photoinduced NO generation from a 2,6-dimethylnitrobenzene-based compound (Flu-DNB) via a two-photon excitation (TPE) process. After pulse laser irradiation to a solution of Flu-DNB, oxidation products of NO were observed. This is the first account of a non-nitrosyl-chelated metal ion containing NO donor which can be controlled by the TPE technique.

Discovery, Modeling, and Human Pharmacokinetics of N-(2-Acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl) -thiophene-2-carboxamide (TBC3711), a Second Generation, ETA Selective, and Orally Bioavailable Endothelin Antagonist

Wu, Chengde,Decker, E. Radford,Blok, Natalie,Bui, Huong,You, Tony J.,Wang, Junmei,Bourgoyne, Andree R.,Knowles, Vippra,Berens, Kurt L.,Holland, George W.,Brock, Tommy A.,Dixon, Richard A. F.

, p. 1969 - 1986 (2007/10/03)

Sitaxsentan (1) (Wu et al. J. Med. Chem. 1997, 40, 1690) is our first endothelin antagonist being evaluated in clinical trials. It has demonstrated biological effects in an acute hemodynamic study in CHF (Givertz et al. Circulation 2000, 101, 2922), an op

Piperazine compounds and medicinal use thereof

-

, (2008/06/13)

The present invention relates to a piperazine compound of the formula wherein R1and R2are each hydrogen, halogen, lower alkyl, lower alkoxy, amino, substituted amino, nitro, hydroxy or cyano, R3, R4and R5are each hydrogen, halogen, lower alkyl, lower alkoxy, nitro, amino, substituted amino or hydroxy, R6and R7are each hydrogen, lower alkyl, lower alkyl substituted by halogen, aralkyl, acyl or lower acyl substituted by halogen, R8and R9are each hydrogen or lower alkyl, Y is lower alkylene and the like, and ring A is phenyl, pyrimidyl, thiazolyl, pyridyl, pyrazyl or imidazolyl, a pharmaceutically acceptable salt thereof and pharmaceutical agents containing these compounds. The compound of the present invention has superior TNF-α production inhibitory effect and/or IL-10 production promoting effect, and, since it is free of or shows only strikingly reduced expression of an effect on the central nervous system, the compound is useful as a highly safe and superior TNF-α production inhibitor an/or IL-10 production promoter and is useful as an agent for the prophylaxis or treatment of various diseases caused by abnormal TNF-α production, diseases curable with IL-10, such as chronic inflammatory diseases, acute inflammatory diseases, inflammatory diseases due to infection, autoimmune diseases, allergic diseases, and TNF-α mediated diseases.

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