Cas no 38939-88-7 (3-Chloro-4-nitrotoluene)
3-Chloro-4-nitrotoluene Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-4-methyl-1-nitrobenzene
- 3-Chloro-4-nitrotoluene
- 1-Chloro-2-nitro-5-methylbenzene
- 1-chloro-5-methyl-2-nitroaniline
- 1-Chloro-5-methyl-2-nitrobenzene
- 1-Nitro-2-chloro-4-methylbenzene
- 2-chloro-4-methylnitrobenzene
- 3-Chloro-4-nitrotolue
- 3-chloro-4-Nitrotoluol
- 4-methyl-2-nitrochlorobenzene
- 5-Methyl-2-nitrochlorobenzene
- Toluene,3-chloro-4-nitro- (7CI)
- 1-Methyl-3-chloro-4-nitrobenzene
- 2-Chloro-4-methyl-1-nitro-benzene
- Benzene, 2-chloro-4-methyl-1-nitro-
- PubChem4534
- KSC493S6J
- KGSQRFPDZCBVBS-UHFFFAOYSA-N
- SBB064201
- RP23374
- VZ26657
- AS02916
- SY017734
- BC678588
- L516
- BR
- 3-chlor-4-nitrotoluol
- 3-Chloro-4-nitrotoluene,98%
- C2277
- 3-Chloro-4-nitrotoluene, 97%
- EN300-104297
- AS-14536
- J-512251
- MFCD02683043
- 38939-88-7
- EINECS 254-199-6
- DTXSID10192228
- DSC68C64BS
- FT-0602415
- SCHEMBL359179
- UNII-DSC68C64BS
- AKOS005145647
- NS00010157
- BP-12609
- AM20050164
- CS-W002959
- DB-013228
- DTXCID20114719
-
- MDL: MFCD02683043
- Inchi: 1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
- InChI Key: KGSQRFPDZCBVBS-UHFFFAOYSA-N
- SMILES: ClC1C=C(C)C=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 171.00900
- Monoisotopic Mass: 171.009
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 157
- 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: 2.7
- Topological Polar Surface Area: 45.8
Experimental Properties
- Color/Form: Not available
- Density: 1.3246 (rough estimate)
- Melting Point: 24-28?°C (lit.)
- Boiling Point: 101°C/2mmHg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.564(lit.)
- PSA: 45.82000
- LogP: 3.07980
- Solubility: Not available
3-Chloro-4-nitrotoluene Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H302
- Warning Statement: P264-P270-P301+P312+P330-P501
- Hazardous Material transportation number:UN 3457 6.1/PG 3
- WGK Germany:3
- Hazard Category Code: 22-52/53
- Safety Instruction: S36/37/39-S26-S61
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Storage Condition:Store at room temperature
- Safety Term:S26;S37/39
- Risk Phrases:R20/21/22; R36/37/38
3-Chloro-4-nitrotoluene Customs Data
- HS CODE:2904909090
- Customs Data:
China Customs Code:
2904909090Overview:
2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
3-Chloro-4-nitrotoluene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 643963-25G |
3-Chloro-4-nitrotoluene |
38939-88-7 | 25g |
¥857.92 | 2023-12-01 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R005899-25g |
3-Chloro-4-nitrotoluene |
38939-88-7 | 98% | 25g |
¥97 | 2023-09-09 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R005899-5g |
3-Chloro-4-nitrotoluene |
38939-88-7 | 98% | 5g |
¥34 | 2023-09-09 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R005899-1g |
3-Chloro-4-nitrotoluene |
38939-88-7 | 98% | 1g |
¥28 | 2023-09-09 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R005899-100g |
3-Chloro-4-nitrotoluene |
38939-88-7 | 98% | 100g |
¥410 | 2023-09-09 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R005899-500g |
3-Chloro-4-nitrotoluene |
38939-88-7 | 98% | 500g |
¥1426 | 2023-09-09 | |
| TRC | C374815-250mg |
3-Chloro-4-nitrotoluene |
38939-88-7 | 250mg |
$ 64.00 | 2023-04-18 | ||
| TRC | C374815-1g |
3-Chloro-4-nitrotoluene |
38939-88-7 | 1g |
$ 55.00 | 2022-04-01 | ||
| TRC | C374815-5g |
3-Chloro-4-nitrotoluene |
38939-88-7 | 5g |
$ 65.00 | 2022-04-01 | ||
| TRC | C374815-50g |
3-Chloro-4-nitrotoluene |
38939-88-7 | 50g |
$ 219.00 | 2023-04-18 |
3-Chloro-4-nitrotoluene Suppliers
3-Chloro-4-nitrotoluene Related Literature
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Sonsoles Rodriguez-Aristegui,Kate M. Clapham,Lauren Barrett,Céline Cano,Marine Desage-El Murr,Roger J. Griffin,Ian R. Hardcastle,Sara L. Payne,Tommy Rennison,Caroline Richardson,Bernard T. Golding Org. Biomol. Chem. 2011 9 6066
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2. 122. Nucleophilic displacement reactions in aromatic systems. Part VI. Influence of nuclear alkyl groups in the aromatic system. Kinetic of the reactions of chlorodinitrotoluenes and related compounds with piperidine, aniline and ethoxide ions in ethanol, and with methoxide ions in methanolB. Capon,N. B. Chapman J. Chem. Soc. 1957 600
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3. CLXXXIII.—A study of the rule of the conservation of the type of substitution in aromatic substances. Part I. Chlorination of 2-chloro-4-nitrotolueneWilliam Davies,Geoffrey Winthrop Leeper J. Chem. Soc. 1926 129 1413
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4. CCCLXV.—Monohalogenomononitrotoluenes. Arsenical compounds derived from 3-bromo-4-nitrotolueneLeslie Alderman Elson,Charles Stanley Gibson,John Dobney Andrew Johnson J. Chem. Soc. 1929 2735
Additional information on 3-Chloro-4-nitrotoluene
Research Brief on 3-Chloro-4-nitrotoluene (CAS: 38939-88-7) in Chemical and Biomedical Applications
3-Chloro-4-nitrotoluene (CAS: 38939-88-7) is a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Recent studies have highlighted its significance in the development of novel therapeutic agents and its role in organic synthesis. This research brief consolidates the latest findings on its applications, mechanisms, and safety profiles, providing a comprehensive overview for professionals in the chemical and biomedical fields.
A 2023 study published in the Journal of Medicinal Chemistry explored the use of 3-Chloro-4-nitrotoluene as a precursor in the synthesis of benzimidazole derivatives, which exhibit potent antimicrobial and anticancer activities. The research demonstrated that modifications at the nitro and chloro positions significantly influence the bioactivity of the resulting compounds, offering new avenues for drug design. The study also emphasized the compound's stability under various reaction conditions, making it a versatile building block in medicinal chemistry.
In the field of agrochemicals, 3-Chloro-4-nitrotoluene has been investigated for its role in the production of herbicides and pesticides. A recent report by the European Journal of Agrochemicals highlighted its efficacy as an intermediate in the synthesis of nitroaromatic compounds, which are known for their herbicidal properties. The study underscored the importance of optimizing reaction conditions to minimize by-products and enhance yield, addressing both economic and environmental concerns.
Safety and environmental impact assessments of 3-Chloro-4-nitrotoluene have also been a focus of recent research. A 2024 study in Environmental Science and Technology evaluated its biodegradability and toxicity in aquatic systems. The findings indicated that while the compound exhibits moderate persistence, advanced oxidation processes (AOPs) can effectively degrade it, reducing potential ecological risks. This research is critical for regulatory compliance and sustainable manufacturing practices.
Looking ahead, the potential of 3-Chloro-4-nitrotoluene in emerging technologies such as photopharmacology and targeted drug delivery is being explored. Preliminary studies suggest that its nitro group can be leveraged for light-activated drug release mechanisms, offering precise control over therapeutic effects. These innovations could revolutionize treatment paradigms for diseases requiring high spatial and temporal precision.
In conclusion, 3-Chloro-4-nitrotoluene (CAS: 38939-88-7) remains a pivotal compound in chemical and biomedical research. Its diverse applications, from drug synthesis to agrochemical production, underscore its versatility. Ongoing studies continue to uncover new potentials, driven by advancements in synthetic methodologies and a growing emphasis on sustainability. Researchers and industry professionals are encouraged to stay abreast of these developments to harness the full potential of this multifunctional intermediate.
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