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Cas Database

961-68-2

961-68-2

Identification

  • Product Name:Benzenamine,2,4-dinitro-N-phenyl-

  • CAS Number: 961-68-2

  • EINECS:213-508-4

  • Molecular Weight:259.221

  • Molecular Formula: C12H9N3O4

  • HS Code:29214400

  • Mol File:961-68-2.mol

Synonyms:Diphenylamine,2,4-dinitro- (8CI);Acetoquinone Yellow 5JZ;C.I.10340;C.I. Disperse Yellow 14;N-(2,4-Dinitrophenyl)aniline;N-(2,4-Dinitrophenyl)benzenamine;N-Phenyl-2,4-dinitroaniline;NSC 6150;Serisol Yellow 2G;Supracet Yellow 3G;o,p-Dinitrodiphenylamine;

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Safety information and MSDS view more

  • Pictogram(s):IrritantXi

  • Hazard Codes:Xi

  • Signal Word:Warning

  • Hazard Statement:H315 Causes skin irritationH319 Causes serious eye irritation H335 May cause respiratory irritation

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

  • Manufacture/Brand
  • Product Description
  • Packaging
  • Price
  • Delivery
  • Purchase
  • Manufacture/Brand:TCI Chemical
  • Product Description:2,4-Dinitrodiphenylamine >98.0%(GC)
  • Packaging:25g
  • Price:$ 39
  • Delivery:In stock
  • Buy Now
  • Manufacture/Brand:TCI Chemical
  • Product Description:2,4-Dinitrodiphenylamine >98.0%(GC)
  • Packaging:100g
  • Price:$ 117
  • Delivery:In stock
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2,4-Dinitrodiphenylamine 98%
  • Packaging:100g
  • Price:$ 66
  • Delivery:In stock
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  • Manufacture/Brand:Biosynth Carbosynth
  • Product Description:2,4-Dinitrodiphenylamine
  • Packaging:25 g
  • Price:$ 189
  • Delivery:In stock
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  • Manufacture/Brand:Biosynth Carbosynth
  • Product Description:2,4-Dinitrodiphenylamine
  • Packaging:250 g
  • Price:$ 472.5
  • Delivery:In stock
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  • Manufacture/Brand:Biosynth Carbosynth
  • Product Description:2,4-Dinitrodiphenylamine
  • Packaging:100 g
  • Price:$ 368
  • Delivery:In stock
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  • Manufacture/Brand:Biosynth Carbosynth
  • Product Description:2,4-Dinitrodiphenylamine
  • Packaging:50 g
  • Price:$ 262.5
  • Delivery:In stock
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  • Manufacture/Brand:Biosynth Carbosynth
  • Product Description:2,4-Dinitrodiphenylamine
  • Packaging:500 g
  • Price:$ 525
  • Delivery:In stock
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  • Manufacture/Brand:American Custom Chemicals Corporation
  • Product Description:2,4'-DINITRODIPHENYLAMINE 95.00%
  • Packaging:5MG
  • Price:$ 503.89
  • Delivery:In stock
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  • Manufacture/Brand:AK Scientific
  • Product Description:2,4-Dinitro-N-phenylaniline
  • Packaging:100g
  • Price:$ 212
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Relevant articles and documentsAll total 46 Articles be found

-

Bunnett,Davis

, p. 4337 (1958)

-

-

Lockhart

, p. 1980,1981, 1983 (1959)

-

-

Ross,Kuntz

, p. 3000 (1954)

-

Solvent effects on kinetics of an aromatic nucleophilic substitution reaction in mixtures of an ionic liquid with molecular solvents and prediction using artificial neural networks

Habibi-Yangjeh, Aziz,Jafari-Tarzanag, Yahya,Banaei, Ali Reza

, p. 153 - 159 (2009)

Kinetics of the reaction between 1-chloro-2,4-dinitrobenzene and aniline was studied in mixtures of 1-ethyl-3-methylimidazolium ethylsulfate ([EMIM|[EtSO4|) with methanol, chloroform, and dimethylsulfoxide at 25°C. Single-parameter correlations

Bain,Ouellet

, p. 646,650, 653 (1951)

Aggregation effects in the reactions of 2,4-dinitrochlorobenzene with aniline in aprotic solvents

Nudelman, N. Sbarbati,Alvaro, Cecilia E. S.,Yankelevich, Jeanette S.

, p. 2125 - 2130 (1997)

The kinetics of the reaction of 2,4-dinitrochlorobenzene with aniline have been studied in toluene and in toluene-methanol binary solvents and compared with the reactions in benzene and chloroform. The reactions in aprotic solvents exhibit a rate dependence that is third-order in amine consistent with aggregates of the aniline acting as the nucleophile. Molecular complexes between the aniline and the substrate were also detected spectrophotometrically. Additionally, an inhibitory effect of toluene complexes was observed, which is similar to the previously reported effect of benzene in the reaction of the same substrate with n-butylamine. The reaction in the presence of pyridine shows an amine dependence which indicates formation of 'mixed aggregates' between aniline and pyridine. All the above results, as well as recently reported studies of other reactions different from SNAr, are fully interpreted within the 'dimer nucleophile' mechanism.

-

Ogata,Okano

, (1952)

-

Reaction of 2,4-dinitrochlorobenzene with aniline. Solvent effects and molecular complex formation

Nudelman, N. Sbarbati,Savini, Monica,Alvaro, C. E. Silvana,Nicotra, Viviane,Yankelevich, Jeanette

, p. 1627 - 1630 (1999)

The kinetics of the reaction of aniline with 2,4-dinitrochlorobenzene (2,4-DNC1B) were studied in several benzene-n-hexane mixtures at 40 °C in the presence of variable amounts of aniline. A linear dependence of the second-order rate coefficients, kA, with [B] is observed, with a null intercept. Taking into account the non-polar character of the solvent, and the excellent nucleofugacity of chlorine, this kinetic behaviour is interpreted as evidence of the aggregation of aniline, the hydrogen-bonded dimer acting as the nucleophile. Consistent with this interpretation, when the solvent is changed to THF, a good hydrogen-bond acceptor (HBA), the kA is no longer dependent on [B]. Electron donor-acceptor (EDA) molecular complexes of 2,4-DNC1B with benzene and with aniline, and also between aniline and the product, were clearly recognized and the stability constants of each one of these complexes were determined.

Incorporation of: N -phenyl in poly(benzimidazole imide)s and improvement in H2O-absorbtion and transparency

Qian, Guangtao,Dai, Fengna,Chen, Haiquan,Wang, Mengxia,Hu, Mengjie,Chen, Chunhai,Yu, Youhai

, p. 3770 - 3776 (2021/02/03)

5-Amine-2-(4-amino-benzene)-1-phenyl-benzimidazole (N-PhPABZ) was successfully synthesized and polymerized with 3,3′,4,4′-biphenyl tetracarboxylic dianhydride (BPDA) to obtain a novel N-phenyl-poly(benzimidazole imide) (N-Ph-PBII). The successful incorporation of N-phenyl addressed the issue of high H2O-absorption of traditional PBIIs while retained the superheat resistance property. The resulting N-Ph-PBII possessed a high glass-transition temperature (Tg) up to 425 °C and a low affinity for water of 1.4%. Furthermore, the loose molecular packing and noncoplanar structures led to an increase in optical transparency for the modified PBII.

Benzimidazole diamine monomer and preparation method thereof

-

Paragraph 0057-0060, (2020/07/21)

The invention relates to a benzimidazole diamine monomer and a preparation method thereof. The preparation method comprises the steps that a benzimidazole intermediate with the structural formula shown in the formula (III) is reduced, a reduction product of the benzimidazole intermediate is mixed with a compound with the structural formula shown in the formula (IV), a substitution reaction and a reduction reaction are conducted in sequence, and the benzimidazole diamine monomer is obtained; the benzimidazole intermediate with the structural formula as shown in the formula (III) is prepared byfirstly carrying out partial reduction reaction on a compound with the structural formula as shown in the formula (I), then a partial reduction product of the compound is mixed with a compound with the structural formula as shown in the formula (II), and then the substitution reaction and a cyclization reaction are sequentially carried out. The structural formulas of the formula (I), the formula (II), the formula (III) and the formula (IV) are shown in the specification. The preparation method is simple and feasible, the prepared benzimidazole diamine monomer is used for preparing polyimide, and the heat resistance and solubility of polyimide can be improved.

Prodrugs for nitroreductase-based cancer therapy-3: Antitumor activity of the novel dinitroaniline prodrugs/Ssap-NtrB enzyme suicide gene system: Synthesis, in vitro and in silico evaluation in prostate cancer

Tokay, Esra,Güng?r, Tu?ba,Hac?o?lu, Nelin,?nder, Ferah C?mert,Gülhan, ünzile Güven,Tok, Tu?ba Ta?k?n,?elik, Ayhan,Ay, Mehmet,K??kar, Feray

, (2019/12/24)

Prodrugs for targeted tumor therapies have been extensively studied in recent years due to not only maximising therapeutic effects on tumor cells but also reducing or eliminating serious side effects on healthy cells. This strategy uses prodrugs which are safe for normal cells and form toxic metabolites (drugs) after selective reduction by enzymes in tumor tissues. In this study, prodrug candidates (1-36) containing nitro were designed, synthesized and characterized within the scope of chemical experiments. Drug-likeness properties of prodrug candidates were analyzed using DS 2018 to investigate undesired toxicity effects. In vitro cytotoxic effects of prodrug canditates were performed with MTT assay for human hepatoma cells (Hep3B) and prostate cancer cells (PC3) and human umbilical vein endothelial cells (HUVEC) as healthy control. Non-toxic compounds (3, 5, 7, 10, 12, 15, 17, 19 and 21–23), and also compounds (1, 2, 5, 6, 9, 11, 14, 16, 20 and 24) which had low toxic effects, were selected to examine their suitability as prodrug canditates. The reduction profiles and kinetic studies of prodrug/Ssap-NtrB combinations were performed with biochemical analyses. Then, selected prodrug/Ssap-NtrB combinations were applied to prostate cancer cells to determine toxicity. The results of theoretical, in vitro cytotoxic and biochemical studies suggest 14/Ssap-NtrB, 22/Ssap-NtrB and 24/Ssap-NtrB may be potential prodrug/enzyme combinations for nitroreductase (Ntr)-based prostate cancer therapy.

Deep eutectic solvent as an operative media on structure-reactivity relationships

Harifi-Mood, Ali Reza,Khorshahi, Hasan

, p. 511 - 519 (2019/04/14)

Deep eutectic solvents seem to be environmentally friendly solvents, particularly because they are prepared easily and have very low-vapor pressures under ambient conditions. They are suitable candidates as green solvents for reaction media with special properties. To present this behavior, substitution reactions of some para- and meta-substituted anilines with 1-fluoro-2,4-dinitrobenzene have been spectrophotometrically investigated in varying mole fractions of ethaline as a deep eutectic solvent in dimethyl sulfoxide (DMSO). The measured rate coefficients of the reaction demonstrated a noticeable variation with the increasing mole fraction of ethaline in ethaline-DMSO mixtures. The linear free energy relationship (LFER) of second-order rate coefficients based on Hammett's substituent constants demonstrates a reasonably linear straight line with a negative slope in different mole fractions of ethaline-DMSO mixtures. Another LFER investigation based on the polarity parameters of the media showed a good agreement with hydrogen bond donor and acceptor abilities of the solvent. Non-LFER assay according to the preferential solvation model confirmed differences between the microsphere solvation of the solute molecules and the bulk composition of the solvents.

Recyclable bimetallic CuMoO4 nanoparticles for C-N cross-coupling reaction under mild conditions

Panigrahi, Reba,Panda, Subhalaxmi,Behera, Pradyota Kumar,Sahu, Santosh Kumar,Rout, Laxmidhar

supporting information, p. 19274 - 19278 (2019/12/24)

Herein we disclosed inexpensive copper(ii) bimetallic CuMoO4 nanoparticles for the C-N cross-coupling reaction of alkyl and aryl amines with haloarenes. The reaction proceeds under mild and ligand free conditions. The catalyst is recyclable and effective for a wide range of amines and haloarenes. Here, the efficiency of the Cu(ii) catalyst is increased by doping molybdenum metal. The bimetallic nanoparticles are anticipated to proceed via normal oxidative addition and reductive eliminations.

Process route upstream and downstream products

Process route

chloroform
67-66-3,8013-54-5

chloroform

diphenylamine
122-39-4

diphenylamine

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

N,N-bis(p-nitrophenyl)amine
1821-27-8

N,N-bis(p-nitrophenyl)amine

Conditions
Conditions Yield
2,4-dinitrobromobenzene
584-48-5

2,4-dinitrobromobenzene

ethanol
64-17-5

ethanol

N-Phenylhydroxylamine
100-65-2

N-Phenylhydroxylamine

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

<i>N</i>-(2,4-dinitro-phenyl)-<i>N</i>-phenyl-hydroxylamine

N-(2,4-dinitro-phenyl)-N-phenyl-hydroxylamine

aniline hydrobromide
542-11-0

aniline hydrobromide

Conditions
Conditions Yield
meta-dinitrobenzene
99-65-0

meta-dinitrobenzene

aniline
62-53-3

aniline

2,4-Dinitrophenol
51-28-5

2,4-Dinitrophenol

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

Conditions
Conditions Yield
With potassium permanganate; tetrabutyl ammonium fluoride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;
75%
22%
glycolanilide
4746-61-6

glycolanilide

1-(2,4-dinitrophenyl)-4-methyl-3,5-dinitropyrazole
58333-00-9

1-(2,4-dinitrophenyl)-4-methyl-3,5-dinitropyrazole

2,4-Dinitrophenol
51-28-5

2,4-Dinitrophenol

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

2-(2,4-dinitrophenoxy)-N-phenylacetamide
20916-37-4

2-(2,4-dinitrophenoxy)-N-phenylacetamide

Conditions
Conditions Yield
With potassium carbonate; In acetonitrile; for 4h; Reflux;
52%
25%
Ca. 0.015 g
(2,4-dinitro-phenyl)-hydrazine
119-26-6

(2,4-dinitro-phenyl)-hydrazine

2,4-Dinitrophenol
51-28-5

2,4-Dinitrophenol

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

2-(2,4-dinitrophenoxy)-N-phenylacetamide
20916-37-4

2-(2,4-dinitrophenoxy)-N-phenylacetamide

Conditions
Conditions Yield
Multi-step reaction with 3 steps
1: hydrogenchloride / ethanol; water / 8 h / Reflux
2: sulfuric acid; nitric acid / 3 h / 100 - 105 °C
3: potassium carbonate / acetonitrile / 4 h / Reflux
With hydrogenchloride; sulfuric acid; nitric acid; potassium carbonate; In ethanol; water; acetonitrile;
1-(2,4-dinitrophenyl)-4-methylpyrazole
13808-75-8

1-(2,4-dinitrophenyl)-4-methylpyrazole

2,4-Dinitrophenol
51-28-5

2,4-Dinitrophenol

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

2-(2,4-dinitrophenoxy)-N-phenylacetamide
20916-37-4

2-(2,4-dinitrophenoxy)-N-phenylacetamide

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: sulfuric acid; nitric acid / 3 h / 100 - 105 °C
2: potassium carbonate / acetonitrile / 4 h / Reflux
With sulfuric acid; nitric acid; potassium carbonate; In acetonitrile;
2,4-dinitrophenyl N-phenylbenzimidate
107569-59-5

2,4-dinitrophenyl N-phenylbenzimidate

sodium benzoate
532-32-1

sodium benzoate

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

Conditions
Conditions Yield
With sodium hydroxide; sodium perchlorate; In 1,4-dioxane; water; at 25 ℃;
With sodium hydroxide; sodium perchlorate; In 1,4-dioxane; water; at 25 ℃; Rate constant;
bis(2,4-dinitrophenyl) ether
2217-56-3

bis(2,4-dinitrophenyl) ether

aniline
62-53-3

aniline

2,4-Dinitrophenol
51-28-5

2,4-Dinitrophenol

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

Conditions
Conditions Yield
2,4-dinitrophenyl N-phenylbenzimidate
107569-59-5

2,4-dinitrophenyl N-phenylbenzimidate

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

benzoic acid
65-85-0,8013-63-6

benzoic acid

Conditions
Conditions Yield
With sodium hydroxide; In water; for 4h; Ambient temperature;
96%
bis-(4-dimethylamino-phenyl)-methane; compound with 4-chloro-1.3-dinitro-benzene

bis-(4-dimethylamino-phenyl)-methane; compound with 4-chloro-1.3-dinitro-benzene

aniline
62-53-3

aniline

N-phenyl-2,4-dinitroaniline
961-68-2

N-phenyl-2,4-dinitroaniline

4,4'-methylene-bis(N,N-dimethylaniline)
101-61-1

4,4'-methylene-bis(N,N-dimethylaniline)

Conditions
Conditions Yield

Global suppliers and manufacturers

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  • Amadis Chemical Co., Ltd.
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  • Chemwill Asia Co., Ltd.
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  • Greenutra Resource Inc
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  • Kono Chem Co.,Ltd
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  • GIHI CHEMICALS CO.,LIMITED
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  • GZ HONESTCHEM CO., LTD
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