Cas no 54454-12-5 (3-Chloro-2-methylbenzonitrile)
3-Chloro-2-methylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-2-methylbenzonitrile
- 3-Chloro-o-tolunitrile
- 2-methyl-3-chlorobenzonitrile
- FKFZTNLSUJCIMG-UHFFFAOYSA-N
- PubChem23847
- 6-chloro-2-cyanotoluene
- 2-Chloro-6-cyanotoluene
- 3-chloro-2-methyl-benzonitrile
- 2-methyl-3-chloro-benzonitrile
- Benzonitrile,3-chloro-2-methyl-
- Benzonitrile, 3-chloro-2-methyl-
- 3-chloro-2-methylbenzenecarbonitrile
- 7875AB
- CL8188
- 54454-12-5
- FT-0615354
- CS-W010960
- FS-2542
- MFCD00045598
- SY106505
- DTXSID90334664
- EN300-2493034
- A830192
- AKOS006228592
- J-512200
- SCHEMBL102325
- 2-Methylo-3-Chlorobemzonitrile
- DTXCID00285754
- DB-052576
-
- MDL: MFCD00045598
- Inchi: 1S/C8H6ClN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3
- InChI Key: FKFZTNLSUJCIMG-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC(C#N)=C1C
- BRN: 2613370
Computed Properties
- Exact Mass: 151.01900
- Monoisotopic Mass: 151.0188769g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 158
- 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
- XLogP3: 2.6
- Topological Polar Surface Area: 23.8
- Surface Charge: 0
- Tautomer Count: nothing
Experimental Properties
- Color/Form: Melting state
- Density: 1.19
- Melting Point: 34-36°C
- Boiling Point: 227 oC
- Flash Point: 87 oC
- Refractive Index: 1.5480
- PSA: 23.79000
- LogP: 2.52008
- Solubility: Insoluble
3-Chloro-2-methylbenzonitrile Security Information
- Hazard Statement: Irritant
- Hazardous Material transportation number:3276
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S28-S36/37
-
Hazardous Material Identification:
- Packing Group:III
- Hazard Level:6.1
- Safety Term:6.1
- Packing Group:III
- Risk Phrases:R20/21/22
- HazardClass:6.1
- PackingGroup:III
3-Chloro-2-methylbenzonitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-Chloro-2-methylbenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 120300-10g |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 98% | 10g |
£60.00 | 2022-02-28 | |
| Fluorochem | 120300-25g |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 98% | 25g |
£111.00 | 2022-02-28 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C124027-10g |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 97% | 10g |
¥410.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C124027-5g |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 97% | 5g |
¥229.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C124027-250mg |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 97% | 250mg |
¥33.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C124027-25g |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 97% | 25g |
¥766.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C124027-1g |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 97% | 1g |
¥73.90 | 2023-09-03 | |
| Fluorochem | 120300-1g |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 98% | 1g |
£11.00 | 2022-02-28 | |
| Fluorochem | 120300-5g |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 98% | 5g |
£34.00 | 2022-02-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 002175-5g |
3-Chloro-2-methylbenzonitrile |
54454-12-5 | 98% | 5g |
795.0CNY | 2021-07-06 |
3-Chloro-2-methylbenzonitrile Suppliers
3-Chloro-2-methylbenzonitrile Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on 3-Chloro-2-methylbenzonitrile
3-Chloro-2-methylbenzonitrile: A Comprehensive Overview
3-Chloro-2-methylbenzonitrile, also known by its CAS number 54454-12-5, is a chemical compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a benzonitrile group substituted with a chlorine atom at the 3-position and a methyl group at the 2-position. The combination of these substituents imparts distinctive chemical properties, making it a valuable molecule for various applications.
The synthesis of 3-Chloro-2-methylbenzonitrile typically involves multi-step organic reactions. Recent advancements in synthetic methodologies have enabled more efficient and environmentally friendly routes to this compound. For instance, researchers have explored the use of catalytic systems and microwave-assisted synthesis to optimize reaction conditions, thereby reducing production costs and minimizing waste. These developments highlight the ongoing efforts to enhance the sustainability of chemical manufacturing processes.
3-Chloro-2-methylbenzonitrile exhibits interesting electronic properties due to the electron-withdrawing effects of the cyano group and the electron-donating effects of the methyl group. These properties make it a promising candidate for applications in electronic materials, such as organic semiconductors and conductive polymers. Recent studies have demonstrated its potential as a building block for constructing advanced materials with tailored electronic characteristics.
In addition to its role in materials science, 3-Chloro-2-methylbenzonitrile has also been investigated for its biological activity. Researchers have explored its potential as a lead compound in drug discovery, particularly in the development of anticancer agents. Preclinical studies suggest that this compound may possess cytotoxic effects against certain cancer cell lines, although further research is needed to validate these findings and explore its mechanism of action.
The versatility of 3-Chloro-2-methylbenzonitrile extends to its use as an intermediate in organic synthesis. Its ability to undergo various functional group transformations makes it a valuable starting material for constructing more complex molecules. For example, it can be used in nucleophilic substitution reactions or as a precursor for synthesizing heterocyclic compounds.
In terms of environmental considerations, recent studies have focused on understanding the fate and toxicity of 3-Chloro-2-methylbenzonitrile in aquatic ecosystems. These studies are crucial for assessing its potential impact on the environment and guiding regulatory decisions regarding its use and disposal.
In conclusion, 3-Chloro-2-methylbenzonitrile, with its CAS number 54454-12-5, is a multifaceted compound with applications spanning organic chemistry, materials science, and pharmacology. Its unique structure and properties continue to inspire innovative research, driving advancements in various scientific domains.
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