Cas no 610-39-9 (4-Methyl-1,2-dinitrobenzene)
4-Methyl-1,2-dinitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-1,2-dinitrobenzene
- Dinitrotoluene
- 3,4-Dinitrotoluene Solution
- EPA Method 529 Internal Standard Stock Solution
- 1-methyl-3,4-dinitrobenzene
- 3,4-Dinitrotoluene
- 3,4-Dinitro-toluol
- 3,4-DNT
- Benzene,4-methyl-1,2-dinitro
- EINECS 210-222-1
- Toluene,3,4-dinitro
- WLN: WNR D1 FNW
- 3,4-DINITROTOLUENE [HSDB]
- NS-01599
- 4-Methyl-1,2-dinitrobenzene #
- NSC-52216
- NCGC00091222-03
- ghl.PD_Mitscher_leg0.941
- NCGC00091222-01
- 3,4-Dinitrotoluene 100 microg/mL in Acetonitrile
- SCHEMBL294724
- CS-0263145
- Tox21_202159
- NCGC00091222-02
- 5-METHYL-1,2-DINITROBENZENE
- 610-39-9
- CHEMBL1489568
- Benzene, 4-methyl-1,2-dinitro-
- AKOS015889580
- NCGC00257205-01
- FT-0632542
- Toluene, 3,4-dinitro-
- CCRIS 2839
- Dinitrotoluene, 3,4-
- NSC 52216
- DTXCID307240
- AKOS015953311
- NS00009648
- EN300-85318
- DTXSID8027240
- NCGC00259708-01
- Tox21_303210
- AE-562/43458950
- NSC52216
- MFCD00007270
- NCGC00091222-04
- InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H
- Q1992140
- HSDB 5501
- CAS-610-39-9
- CHEBI:142285
- V6PS4L6ZHT
- UNII-V6PS4L6ZHT
- G45776
- DB-030889
- STL386600
-
- MDL: MFCD00007270
- Inchi: 1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
- InChI Key: INYDMNPNDHRJQJ-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=C(C)C=CC=1[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 182.03300
- Monoisotopic Mass: 182.03275668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- Color/Form: Yellow acicular crystals
- Density: 1.2594
- Melting Point: 54-57?°C(lit.)
- Boiling Point: 320.51°C (rough estimate)
- Flash Point: >230?°F
- Refractive Index: 1.4790 (estimate)
- PSA: 91.64000
- LogP: 2.85780
- Solubility: Insoluble in water
4-Methyl-1,2-dinitrobenzene Security Information
- Hazardous Material transportation number:UN 3454 6.1/PG 2
- WGK Germany:3
- Hazard Category Code: 45-23/24/25-48/22-51/53-62-68
- Safety Instruction: S53; S45; S61
- RTECS:XT2100000
-
Hazardous Material Identification:
- Packing Group:II
- Hazard Level:6.1
- Risk Phrases:R45; R23/24/25; R48/22; R51/53; R62; R68
- Packing Group:II
- Safety Term:6.1
- HazardClass:6.1
- PackingGroup:II
4-Methyl-1,2-dinitrobenzene Customs Data
- HS CODE:2904203000
- Customs Data:
China Customs Code:
2904203000Overview:
2904203000 Dinitrotoluene.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.Minimum tariff:5.5%.general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
M.Import commodity inspection
N.Export commodity inspectionSummary:
2904203000 4-methyl-1,2-dinitrobenzene.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tarrif:5.5%.general tariff:20.0%
4-Methyl-1,2-dinitrobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| BAI LING WEI Technology Co., Ltd. | M-8330-IS-1mL |
3,4-Dinitrotoluene,1000 μg/mL in MeOH |
610-39-9 | 1000 μg/mL in MeOH | 1mL |
¥ 232 | 2022-04-25 | |
| BAI LING WEI Technology Co., Ltd. | M-8095-SS-01-1mL |
3,4-Dinitrotoluene ,100 μg/mL in Acetonitrile |
610-39-9 | 100 μg/mL in Acetonitrile | 1mL |
¥ 232 | 2022-04-26 | |
| BAI LING WEI Technology Co., Ltd. | M-8095-SS-01-PAK-5 * 1mL |
3,4-Dinitrotoluene,100 μg/mL in Acetonitrile |
610-39-9 | 100 μg/mL in Acetonitrile | 5 * 1mL |
¥ 1140 | 2022-04-26 | |
| BAI LING WEI Technology Co., Ltd. | M-529-IS-1mL |
EPA Method 529 Internal Standard Stock Solution,2.0 mg/mL in Ethyl acetate |
610-39-9 | 2.0 mg/mL in Ethyl acetate | 1mL |
¥ 309 | 2022-04-26 | |
| A2B Chem LLC | AB63782-2.5g |
3,4-DINITROTOLUENE |
610-39-9 | 95% | 2.5g |
$660.00 | 2024-04-19 | |
| A2B Chem LLC | AB63782-5g |
3,4-DINITROTOLUENE |
610-39-9 | 95% | 5g |
$1021.00 | 2024-04-19 | |
| A2B Chem LLC | AB63782-10g |
3,4-DINITROTOLUENE |
610-39-9 | 95% | 10g |
$1472.00 | 2024-04-19 | |
| 1PlusChem | 1P003IZQ-500mg |
3,4-Dinitrotoluene |
610-39-9 | 95% | 500mg |
$372.00 | 2025-02-20 | |
| 1PlusChem | 1P003IZQ-250mg |
3,4-Dinitrotoluene |
610-39-9 | 95% | 250mg |
$249.00 | 2025-02-20 | |
| 1PlusChem | 1P003IZQ-1g |
3,4-Dinitrotoluene |
610-39-9 | 95% | 1g |
$467.00 | 2025-02-20 |
4-Methyl-1,2-dinitrobenzene Suppliers
4-Methyl-1,2-dinitrobenzene Related Literature
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A. Hashimoto,H. Sakino,E. Yamagami,S. Tateishi Analyst 1980 105 787
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2. CXCIV.—ortho-Chlorodinitrotoluenes. Part IV. 2-Chloro-3 : 4-dinitrotolueneGilbert T. Morgan,Thomas Glover J. Chem. Soc. Trans. 1921 119 1700
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3. CLXVII.—The ionisation of aromatic nitro-compounds in liquid ammonia. Part IMargaret Joyce Field,William Edward Garner,Christopher Caiger Smith J. Chem. Soc. Trans. 1925 127 1227
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4. XXXIV.—The products of nitration of tolueneWilliam Howieson Gibson,Rebecca Duckham,Ruth Fairbairn J. Chem. Soc. Trans. 1922 121 270
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Luiza Pereira de Oliveira,Diego Pessoa Rocha,William Reis de Araujo,Rodrigo Alejandro Abarza Mu?oz,Thiago Regis Longo Cesar Paix?o,Maiara Oliveira Salles Anal. Methods 2018 10 5135
Additional information on 4-Methyl-1,2-dinitrobenzene
Professional Introduction to 4-Methyl-1,2-dinitrobenzene (CAS No. 610-39-9)
4-Methyl-1,2-dinitrobenzene, with the chemical formula C?H?N?O? and CAS number 610-39-9, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of nitroaromatics, which have garnered considerable attention due to their diverse applications in chemical synthesis and material science. The structural features of 4-Methyl-1,2-dinitrobenzene, characterized by the presence of two nitro groups and a methyl substituent on a benzene ring, make it a versatile intermediate in various chemical reactions.
The synthesis of 4-Methyl-1,2-dinitrobenzene typically involves the nitration of toluene or its derivatives. This process requires careful control of reaction conditions to ensure high yield and purity. The nitration reaction is highly exothermic and must be conducted under controlled temperatures to prevent unwanted side reactions. Recent advancements in catalytic methods have improved the efficiency and selectivity of this synthesis, making it more sustainable and scalable for industrial applications.
In pharmaceutical research, 4-Methyl-1,2-dinitrobenzene has been explored as a precursor for various bioactive molecules. Its nitro groups can be readily reduced to amino groups, transforming it into valuable intermediates for drug development. For instance, researchers have utilized derivatives of 4-Methyl-1,2-dinitrobenzene in the synthesis of antimicrobial agents and potential anticancer compounds. The flexibility of its molecular structure allows for further functionalization, enabling the creation of complex pharmacophores with tailored biological activities.
The compound's reactivity also makes it useful in material science applications. For example, it can be used as a monomer or intermediate in the production of high-performance polymers and dyes. The nitro groups contribute to the compound's ability to participate in polymerization reactions, resulting in materials with enhanced thermal stability and mechanical strength. Additionally, 4-Methyl-1,2-dinitrobenzene has been investigated for its potential use in organic electronics, where its electron-withdrawing properties can be leveraged to improve the performance of conductive polymers.
Recent studies have also highlighted the role of 4-Methyl-1,2-dinitrobenzene in environmental chemistry. Researchers are exploring its degradation pathways and ecological impact to better understand its behavior in natural systems. This knowledge is crucial for developing environmentally friendly synthetic routes that minimize waste and reduce hazardous byproducts. The compound's interactions with microbial communities have been particularly studied, providing insights into biodegradation mechanisms and potential bioremediation strategies.
The pharmaceutical industry continues to invest in research aimed at harnessing the potential of 4-Methyl-1,2-dinitrobenzene. Novel synthetic methodologies are being developed to optimize its production and purification processes. Furthermore, computational modeling techniques are being employed to predict the biological activity of derivatives before experimental synthesis is undertaken. This approach accelerates the drug discovery pipeline by identifying promising candidates with minimal trial-and-error experimentation.
Material scientists are equally interested in the applications of 4-Methyl-1,2-dinitrobenzene beyond traditional uses. Innovations in nanotechnology have opened new avenues for incorporating this compound into advanced materials such as sensors and catalysts. Its unique electronic properties make it a candidate for use in organic photovoltaics and light-emitting diodes (OLEDs), contributing to the development of more efficient renewable energy technologies.
The safety profile of 4-Methyl-1,2-dinitrobenzene is another critical area of focus. While it is not classified as a hazardous substance under standard regulatory frameworks, proper handling procedures must be followed to ensure worker safety. Exposure guidelines have been established based on extensive toxicological studies, which assess its potential health effects at various concentrations. These studies provide valuable data for risk assessment and inform best practices in industrial settings where this compound is used.
In conclusion, 4-Methyl-1,2-dinitrobenzene (CAS No. 610-39-9) is a multifaceted compound with significant applications across multiple scientific disciplines. Its role as a synthetic intermediate in pharmaceuticals and materials science underscores its importance in modern chemistry research. As new methodologies emerge and our understanding deepens, the potential uses for this compound are likely to expand further, driving innovation and progress in various industries.
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