Cas no 766-84-7 (3-Chlorobenzonitrile)
3-Chlorobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Chlorobenzonitrile
- 1-chloro-3-cyanobenzene
- 3-Chloro-benzonitrile
- 3-chlorobenzylnitrile
- Benzonitrile,3-chloro
- BENZONITRILE,m-CHLORO
- EINECS 212-172-6
- m-Chlorobenzonitrile
- m-Cyanochlorobenzene
- meta-chloro-benzonitrile
- meta-cyano chlorobenzene
- Benzonitrile,m-chloro- (7CI,8CI)
- NSC 59733
- m-Chlorocyanobenzene
- M-chloro benzonitrile
- Benzonitrile, 3-chloro-
- BENZONITRILE, m-CHLORO-
- 3-CYANOCHLOROBENZENE
- WBUOVKBZJOIOAE-UHFFFAOYSA-N
- 3-chlorobenzenecarbonitrile
- NSC59733
- 5-chlorobenzonitrile
- PubChem3624
- 3-chloro benzonitrile
- 3-Chlorobenzoic acid nitrile
- 3-chloranylbenzenecarbonitrile
- SCHEMBL101999
- F0001-1952
- PS-5561
- AMY28188
- AC-15863
- 3-Chlorobenzonitrile, 99%
- InChI=1/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4
- NS00037829
- 2-(2-BROMOETHYL)-BETA-NITROSTYRENE
- AKOS001053270
- EN300-09496
- MFCD00001798
- NSC-59733
- LD58GX58VW
- FT-0615468
- 766-84-7
- CK2125
- W-104348
- DTXSID20227414
- A838794
- CS-W011053
- STL168040
- DB-056108
-
- MDL: MFCD00001798
- Inchi: 1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H
- InChI Key: WBUOVKBZJOIOAE-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC(C#N)=C1
- BRN: 1906694
Computed Properties
- Exact Mass: 137.00300
- Monoisotopic Mass: 137.003227
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 135
- 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: 1.7
- Topological Polar Surface Area: 23.8
- Surface Charge: 0
- Tautomer Count: nothing
Experimental Properties
- Color/Form: White crystals
- Density: 1.14
- Melting Point: 41.0 to 44.0 deg-C
- Boiling Point: 94°C/14mmHg(lit.)
- Flash Point: Fahrenheit: 206.6 ° f
Celsius: 97 ° c - Refractive Index: 1.4530 (estimate)
- Water Partition Coefficient: Insoluble
- PSA: 23.79000
- LogP: 2.21168
- Solubility: Insoluble in water
3-Chlorobenzonitrile Security Information
-
Symbol:
- Prompt:warning
- Hazard Statement: H302+H312-H319
- Warning Statement: P264-P270-P280-P301+P312+P330-P302+P352+P312+P362+P364-P305+P351+P338+P337+P313-P501
- Hazardous Material transportation number:3439
- WGK Germany:3
- Hazard Category Code: R21/22;R36
- Safety Instruction: S23-S24/25
- RTECS:DI2600000
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Safety Term:6.1
- Packing Group:III
- Risk Phrases:R21/22; R36
- Packing Group:III
- Hazard Level:6.1
- Storage Condition:Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
3-Chlorobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 035197-1g |
3-Chlorobenzonitrile |
766-84-7 | 98% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 035197-5g |
3-Chlorobenzonitrile |
766-84-7 | 98% | 5g |
£13.00 | 2022-03-01 | |
| Fluorochem | 035197-25g |
3-Chlorobenzonitrile |
766-84-7 | 98% | 25g |
£22.00 | 2022-03-01 | |
| Fluorochem | 035197-100g |
3-Chlorobenzonitrile |
766-84-7 | 98% | 100g |
£75.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C137691-100g |
3-Chlorobenzonitrile |
766-84-7 | ≥98.0%(GC) | 100g |
¥285.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C137691-10g |
3-Chlorobenzonitrile |
766-84-7 | ≥98.0%(GC) | 10g |
¥59.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C137691-5g |
3-Chlorobenzonitrile |
766-84-7 | ≥98.0%(GC) | 5g |
¥33.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C137691-250g |
3-Chlorobenzonitrile |
766-84-7 | ≥98.0%(GC) | 250g |
¥570.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C137691-25g |
3-Chlorobenzonitrile |
766-84-7 | ≥98.0%(GC) | 25g |
¥118.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C137691-50g |
3-Chlorobenzonitrile |
766-84-7 | ≥98.0%(GC) | 50g |
¥178.90 | 2023-09-03 |
3-Chlorobenzonitrile Suppliers
3-Chlorobenzonitrile Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
Additional information on 3-Chlorobenzonitrile
Introduction to 3-Chlorobenzonitrile (CAS No. 766-84-7)
3-Chlorobenzonitrile, with the chemical formula C?H?ClN and CAS number 766-84-7, is a significant intermediate in the field of organic synthesis and pharmaceutical development. This compound, characterized by its chlorinated benzene ring conjugated with a nitrile group, has garnered considerable attention due to its versatile applications in synthesizing various bioactive molecules. The structural uniqueness of 3-Chlorobenzonitrile allows it to serve as a precursor in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals, making it a cornerstone in modern chemical manufacturing.
The 3-Chlorobenzonitrile molecule exhibits a distinct electronic distribution due to the presence of both electron-withdrawing and electron-donating groups. The nitrile group (–CN) imparts a strong polar character to the molecule, enhancing its reactivity in nucleophilic substitution reactions. Meanwhile, the chlorine atom (–Cl) at the ortho position relative to the nitrile group introduces additional reactivity, facilitating various coupling and functionalization reactions. These features make 3-Chlorobenzonitrile an invaluable building block in medicinal chemistry.
In recent years, 3-Chlorobenzonitrile has been extensively studied for its role in the synthesis of novel therapeutic agents. One notable area of research involves its utilization in developing small-molecule inhibitors targeting various biological pathways. For instance, studies have demonstrated its importance in generating derivatives that interact with enzymes involved in inflammation and cancer progression. The ability to modify the aromatic core of 3-Chlorobenzonitrile allows chemists to fine-tune its pharmacological properties, leading to the discovery of potent and selective inhibitors.
Moreover, advancements in green chemistry have prompted researchers to explore sustainable methods for synthesizing 3-Chlorobenzonitrile. Traditional synthetic routes often involve harsh conditions and generate significant waste, necessitating more environmentally friendly alternatives. Recent innovations have focused on catalytic processes that minimize byproduct formation while maintaining high yields. These developments not only enhance efficiency but also align with global efforts to reduce the environmental footprint of chemical production.
The pharmaceutical industry has also leveraged 3-Chlorobenzonitrile in the development of antibiotics and antiviral drugs. Its structural framework can be readily modified to create compounds with enhanced antimicrobial activity. For example, researchers have synthesized novel derivatives of 3-Chlorobenzonitrile that exhibit promising results against drug-resistant bacterial strains. This underscores the compound's versatility and its potential in addressing emerging health challenges.
Another exciting application of 3-Chlorobenzonitrile lies in material science. The compound's ability to form stable polymers and coatings has been explored for creating advanced materials with tailored properties. These materials find applications in electronics, where their thermal stability and electrical conductivity make them suitable for use in semiconductors and conductive films. Such innovations highlight the broad utility of 3-Chlorobenzonitrile beyond traditional pharmaceuticals.
In conclusion, 3-Chlorobenzonitrile (CAS No. 766-84-7) remains a pivotal compound in modern chemistry due to its diverse applications across multiple industries. Its unique structural features enable the synthesis of a wide range of bioactive molecules, contributing significantly to pharmaceutical development, material science, and sustainable manufacturing practices. As research continues to uncover new methodologies for utilizing 3-Chlorobenzonitrile, its importance is expected to grow even further, solidifying its role as a cornerstone of industrial and academic chemistry.
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