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2-METHYL-3-NITROBENZALDEHYDE, also known as 2-methyl-3-nitrobenzenecarboxaldehyde, is a yellow to orange crystalline solid with a pungent odor. It is a nitroaldehyde, which means it contains both a nitro group and an aldehyde group in its structure. This chemical is primarily used as an intermediate in the production of various chemical compounds, including pharmaceuticals, dyes, and fragrances. It is important to handle this chemical with care, as it is a skin and eye irritant and can be harmful if ingested or inhaled. Additionally, it is flammable and should be stored and handled in a well-ventilated area.

23876-12-2

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23876-12-2 Usage

Uses

Used in Pharmaceutical Industry:
2-METHYL-3-NITROBENZALDEHYDE is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows it to be a key component in the development of new drugs and medications.
Used in Dye Industry:
2-METHYL-3-NITROBENZALDEHYDE is used as a chemical intermediate in the production of dyes. Its properties contribute to the creation of a wide range of colors and hues in various dye formulations.
Used in Fragrance Industry:
2-METHYL-3-NITROBENZALDEHYDE is used as a chemical intermediate in the development of fragrances. Its pungent odor can be utilized to create unique and distinct scents for various applications, such as perfumes, colognes, and other scented products.

Check Digit Verification of cas no

The CAS Registry Mumber 23876-12-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,3,8,7 and 6 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 23876-12:
(7*2)+(6*3)+(5*8)+(4*7)+(3*6)+(2*1)+(1*2)=122
122 % 10 = 2
So 23876-12-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H7NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-5H,1H3

23876-12-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-METHYL-3-NITROBENZALDEHYDE

1.2 Other means of identification

Product number -
Other names 3-nitro-2-methylbenzaldehyde

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:23876-12-2 SDS

23876-12-2Relevant academic research and scientific papers

Combined production method for substituted benzaldehyde, substituted benzyl alcohol and substituted benzoic acid

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Paragraph 0077; 0078, (2017/01/31)

The invention discloses a combined production method for substituted benzaldehyde, substituted benzyl alcohol and substituted benzoic acid. The method comprises the following steps: (1) oxidation: a step of continuously introducing substituted toluene, a catalyst and oxygen-contained gas into an oxidation reactor and carrying out reaction so as to obtain oxidation reaction liquid; (2) hydrolyzation: a step of allowing the oxidation reaction liquid to continuously enter a hydrolysis reactor, and continuously adding water into the hydrolysis reactor and carrying out reaction so as to obtain a hydrolysis reaction mixture; (3) liquid-liquid layering: a step of layering the hydrolysis reaction mixture so as to obtain an oil phase and an aqueous phase; and (4) separation of products: a step of subjecting the oil phase to distillation so as to respectively obtain incompletely-reacted substituted toluene, substituted benzyl alcohol and substituted benzaldehyde, and subjecting the aqueous phase to cooling, crystallizing and filtering so as to obtain filtrate and substituted benzoic acid. The combined production method provided by the invention has the advantages of high raw material conversion rate, few by-products, good selectivity of target products, greenness and environmental protection.

Synthesis, pharmacological evaluation and docking studies of pyrrole structure-based CB2 receptor antagonists

Ragusa, Giulio,Gómez-Ca?as, María,Morales, Paula,Hurst, Dow P.,Deligia, Francesco,Pazos, Ruth,Pinna, Gerard A.,Fernández-Ruiz, Javier,Goya, Pilar,Reggio, Patricia H.,Jagerovic, Nadine,García-Arencibia, Moisés,Murineddu, Gabriele

, p. 651 - 667 (2015/08/04)

Abstract During the last years, there has been a continuous interest in the development of cannabinoid receptor ligands that may serve as therapeutic agents and/or as experimental tools. This prompted us to design and synthesize analogues of the CB2 receptor antagonist N-fenchyl-5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1H-pyrazole-3-carboxamide (SR144528). The structural modifications involved the bioisosteric replacement of the pyrazole ring by a pyrrole ring and variations on the amine carbamoyl substituents. Two of these compounds, the fenchyl pyrrole analogue 6 and the myrtanyl derivative 10, showed high affinity (Ki in the low nM range) and selectivity for the CB2 receptor and both resulted to be antagonists/inverse agonists in [35S]-GTPγS binding analysis and in an in vitro CB2 receptor bioassay. Cannabinoid receptor binding data of the series allowed identifying steric constraints within the CB2 binding pocket using a study of Van der Waals' volume maps. Glide docking studies revealed that all docked compounds bind in the same region of the CB2 receptor inactive state model.

TETRAZOLINONE COMPOUND AND USE THEREOF

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Paragraph 0827, (2015/11/16)

The compound represented by formula (1): wherein R4 and R5 each represents a hydrogen atom, a halogen atom, or a C1-C3 alkyl group; R6 represents a C1-C4 alkyl group, a C3-C6 cycloalkyl group, or the like; R7, R8, and R9 each represents a hydrogen atom, a halogen atom, or the like; R10 represents a C1-C3 alkyl group, or the like; R13 represents a C1-C3 alkyl group, or the like; and Q represents a phenyl group, or the like; has an excellent control effect on pests.

TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF

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Paragraph 0810, (2015/11/24)

Disclosed is a tetrazolinone compound having a high pest control effect and represented by the formula (1): wherein R1, R2, R3, and R11 each represent a halogen atom, a C1-C6 alkyl group, or the like; R4 and R5 each represent a hydrogen atom, a halogen atom, a C1-C3 alkyl group, or the like; R6 represents a C1-C3 alkyl group which may have a halogen atom(s) or the like; R7, R8, and R9 each represent a hydrogen atom, a halogen atom, or the like; R10 represents a C1-C3 alkyl group or the like; R12 represents a C1-C6 alkyl group, a C3-C6 cycloalkyl group, or the like, and R13 represents a C1-C6 alkyl group, a C2-C6 alkenyl group, or the like.

TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES

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Page/Page column 939, (2013/11/18)

The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

Continuous flow oxidation of alcohols and aldehydes utilizing bleach and catalytic tetrabutylammonium bromide

Leduc, Andrew B.,Jamison, Timothy F.

supporting information; experimental part, p. 1082 - 1089 (2012/08/27)

We report a method for the oxidation of a range of alcohols and aldehydes utilizing a simple flow system of alcohols in EtOAc with a stream of 12.5% NaOCl and catalytic Bu4NBr. Secondary alcohols are oxidized to ketones, aldehydes are oxidized directly to methyl esters in the presence of methanol, and benzylic alcohols are oxidized to either benzaldehydes or methyl esters, depending on the conditions used. The reaction conditions are mild and generally provide complete conversion in 5-30 min.

Synthesis and structure-activity studies on N-[5-(1H-imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide, an imidazole-containing α1A-adrenoceptor agonist

Altenbach, Robert J.,Khilevich, Albert,Kolasa, Teodozyj,Rohde, Jeffrey J.,Bhatia, Pramila A.,Patel, Meena V.,Searle, Xenia B.,Yang, Fan,Bunnelle, William H.,Tietje, Karin,Bayburt, Erol K.,Carroll, William A.,Meyer, Michael D.,Henry, Rodger,Buckner, Steven A.,Kuk, Jane,Daza, Anthony V.,Milicic, Ivan V.,Cain, John C.,Kang, Chae H.,Ireland, Lynne M.,Carr, Tracy L.,Miller, Thomas R.,Hancock, Arthur A.,Nakane, Masaki,Esbenshade, Timothy A.,Brune, Michael E.,O'Neill, Alyssa B.,Gauvin, Donna M.,Katwala, Sweta P.,Holladay, Mark W.,Brioni, Jorge D.,Sullivan, James P.

, p. 3220 - 3235 (2007/10/03)

Structure-activity studies were performed on the α 1A-adrenoceptor (AR) selective agonist N-[5-(1H-imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide (4). Compounds were evaluated for binding activity at the α1A, α1b, α1d, α2a, and α2B subtypes. Functional activity in tissues containing the α1A (rabbit urethra), α1B (rat spleen), α1D (rat aorta), and α2A (rat prostatic vas deferens) was also evaluated. A dog in vivo model simultaneously measuring intraurethral pressure (IUP) and mean arterial pressure (MAP) was used to assess the uroselectivity of the compounds. Many of the compounds that were highly selective in vitro for the α1A-AR subtype were also more uroselective in vivo for increasing IUP over MAP than the nonselective α1-agonists phenylpropanolamine (PPA) (1) and ST-1059 (2, the active metabolite of midodrine), supporting the hypothesis that greater α1A selectivity would reduce cardiovascular side effects. However, the data also support a prominent role of the α1A-AR subtype in the control of MAP.

4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use

-

, (2008/06/13)

Compounds of formula I are useful in treating diseases prevented by or ameliorated with α1A agonists. Also disclosed are α1A agonist compositions and a method of activating α1 adrenoceptors in a mammal.

Potential antisecretory antidiarrheals. 1. α2-Adrenergic aromatic aminoguanidine hydrazones

Pitzele,Moormann,Gullikson,Albin,Bianchi,Palicharla,Sanguinetti,Walters

, p. 138 - 144 (2007/10/02)

Guanabenz, a centrally acting antihypertensive agent, has been shown to have intestinal antisecretory properties. A series of aromatic aminoguanidine hydrazones was made in an effort to separate the antisecretory and cardiovascular activities. Benzaldehyde, naphthaldehyde, and tetralone derivatives were synthesized. The compounds were evaluated in the cholera toxin treated ligated jejunum of the rat and in the Ussing chamber using a rabbit ileum preparation. A number of compounds, including members of each structural class, were active upon subcutaneous administration in the rat. Active compounds were determined to be α2-adrenergic agonists by yohimbine reversals of their Ussing chamber activities. The compound displaying the best separation of activities was the aminoguanidine hydrazone of 2,6-dimethyl-4-hydroxybenzaldehyde (20).

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