Cas no 52414-97-8 (1-bromo-3-methyl-2-nitro-benzene)
1-bromo-3-methyl-2-nitro-benzene Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-2-nitrotoluene
- 1-Bromo-3-methyl-2-nitrobenzene
- Benzene,1-bromo-3-methyl-2-nitro-
- 6-Bromo-2-methyl-1-nitrobenzene
- Benzene, 1-bromo-3-methyl-2-nitro-
- 2-BROMO-6-METHYLNITROBENZENE
- bromonitrotoluene
- PubChem15574
- 2-Amino-6-Cyano benzothiazole
- XDKMDDOCVPNVMB-UHFFFAOYSA-N
- 1-Bromo-2-nitro-3-methylbenzene
- 1-bromo-3-methyl-2-nitro-benzene
- CL8954
- 2-Nitro-3-Bromo Toluene
- 52414-97-8
- GS-3309
- AM808212
- A829066
- DTXSID10200433
- SY063240
- SCHEMBL1496075
- EN300-114638
- CS-0053875
- W-200406
- MFCD02673631
- AKOS005259371
- PB23310
- FT-0615143
- F8880-6984
- 3-Bromo-2-nitrotoluene, 97%
- GEO-00529
- 1-bromo-3-methyl-2-nitro-benzene;3-Bromo-2-nitrotoluene
- DB-022323
-
- MDL: MFCD02673631
- Inchi: 1S/C7H6BrNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
- InChI Key: XDKMDDOCVPNVMB-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(C)=C1[N+](=O)[O-]
Computed Properties
- Exact Mass: 214.95800
- Monoisotopic Mass: 214.958
- 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: 2.8
- Topological Polar Surface Area: 45.8
Experimental Properties
- Color/Form: Not available
- Density: 1.612?g/mL?at 25?°C(lit.)
- Melting Point: 25-29?°C (lit.)
- Boiling Point: 267 oC
- Flash Point: 97.4±21.8 oC,
- Refractive Index: 1.6120 (estimate)
- Solubility: Very slightly soluble (0.18 g/l) (25 o C),
- PSA: 45.82000
- LogP: 3.18890
- Solubility: Not available
1-bromo-3-methyl-2-nitro-benzene Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38-20/21/22
- Safety Instruction: S36/37/39-S26-S22
-
Hazardous Material Identification:
- Storage Condition:Store at room temperature
- Safety Term:S28A;S36/37/39;S45
- Risk Phrases:R36/37/38
1-bromo-3-methyl-2-nitro-benzene 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%
1-bromo-3-methyl-2-nitro-benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 010655-1g |
3-Bromo-2-nitrotoluene |
52414-97-8 | 98% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 010655-5g |
3-Bromo-2-nitrotoluene |
52414-97-8 | 98% | 5g |
£31.00 | 2022-03-01 | |
| Fluorochem | 010655-10g |
3-Bromo-2-nitrotoluene |
52414-97-8 | 98% | 10g |
£59.00 | 2022-03-01 | |
| Fluorochem | 010655-25g |
3-Bromo-2-nitrotoluene |
52414-97-8 | 98% | 25g |
£115.00 | 2022-03-01 | |
| Chemenu | CM253400-25g |
1-Bromo-3-methyl-2-nitrobenzene |
52414-97-8 | 95% | 25g |
$143 | 2021-06-16 | |
| Chemenu | CM253400-100g |
1-Bromo-3-methyl-2-nitrobenzene |
52414-97-8 | 95% | 100g |
$458 | 2021-06-16 | |
| Alichem | A010003488-250mg |
3-Bromo-2-nitrotoluene |
52414-97-8 | 98% | 250mg |
$727.60 | 2023-09-01 | |
| Alichem | A010003488-500mg |
3-Bromo-2-nitrotoluene |
52414-97-8 | 98% | 500mg |
$1019.20 | 2023-09-01 | |
| Alichem | A010003488-1g |
3-Bromo-2-nitrotoluene |
52414-97-8 | 98% | 1g |
$1668.15 | 2023-09-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ID469-20g |
1-bromo-3-methyl-2-nitro-benzene |
52414-97-8 | 97% | 20g |
1692.0CNY | 2021-07-16 |
1-bromo-3-methyl-2-nitro-benzene Suppliers
1-bromo-3-methyl-2-nitro-benzene Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
Additional information on 1-bromo-3-methyl-2-nitro-benzene
Comprehensive Overview of 1-Bromo-3-methyl-2-nitro-benzene (CAS No. 52414-97-8)
1-Bromo-3-methyl-2-nitro-benzene (CAS No. 52414-97-8) is a specialized aromatic compound widely utilized in organic synthesis and pharmaceutical intermediates. Its molecular structure, featuring a bromine atom and a nitro group on a methyl-substituted benzene ring, makes it a versatile building block for fine chemicals and agrochemicals. The compound’s unique reactivity has garnered attention in research circles, particularly for applications in cross-coupling reactions and catalysis.
In recent years, the demand for nitroaromatic compounds like 1-Bromo-3-methyl-2-nitro-benzene has surged due to their role in synthesizing advanced materials and bioactive molecules. Researchers frequently explore its potential in photocatalysis and green chemistry, aligning with global trends toward sustainable industrial processes. A common query among chemists is how to optimize its selective bromination or nitration efficiency, reflecting the compound’s technical significance.
The synthesis of 1-Bromo-3-methyl-2-nitro-benzene typically involves electrophilic aromatic substitution, with careful control of reaction conditions to avoid polybromination. Analytical techniques such as HPLC and NMR spectroscopy are critical for purity verification, a topic often discussed in quality control forums. Its stability under storage and compatibility with Grignard reagents further enhance its utility in multistep syntheses.
From an industrial perspective, CAS No. 52414-97-8 is pivotal in producing dyes, liquid crystals, and pharmaceutical precursors. Environmental considerations, such as waste reduction and solvent recovery, are increasingly tied to its manufacturing processes. Innovations like flow chemistry and microwave-assisted synthesis have been tested to improve yield and scalability, addressing common challenges in large-scale production.
Safety protocols for handling 1-Bromo-3-methyl-2-nitro-benzene emphasize proper ventilation and personal protective equipment (PPE), though it remains classified as non-hazardous under standard conditions. Regulatory compliance, particularly regarding REACH and GHS labeling, is another frequent search topic among suppliers and end-users. The compound’s spectral data and thermodynamic properties are well-documented in scientific literature, facilitating its adoption in diverse applications.
Emerging studies highlight its potential in metal-organic frameworks (MOFs) and electronic materials, tapping into the growing interest in smart materials. As synthetic methodologies evolve, 52414-97-8 continues to serve as a benchmark for structure-activity relationship (SAR) studies, particularly in medicinal chemistry. This aligns with the broader shift toward precision synthesis and high-throughput screening in drug discovery.
In summary, 1-Bromo-3-methyl-2-nitro-benzene exemplifies the intersection of traditional organic chemistry and modern technological demands. Its adaptability across research, industrial, and environmental domains ensures its relevance in both academic and commercial settings. Future developments may focus on catalytic recycling and biodegradable derivatives, further solidifying its role in sustainable chemistry.
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