Cas no 3598-14-9 (2-phenoxyacetonitrile)
2-phenoxyacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Phenoxyacetonitrile
- Phenoxyacetonirile
- Phenoxyacetonitrile
- Acetonitrile, phenoxy-
- phenoxy-acetonitrile
- VLLSCJFPVSQXDM-UHFFFAOYSA-N
- 2-phenoxyethanenitrile
- NSC49354
- 2-Phenoxy-acetonitrile
- Acetonitrile,2-phenoxy-
- Phenoxyacetonitrile, 98%
- STR06531
- SBB016774
- 4519AB
- TRA0160930
- NE11056
- SY005439
- AB1000469
- ST50405004
- P2217
- Z53792061
- UNII-QU78TF2FK8
- CS-0136967
- MFCD00052017
- DTXSID60287158
- A874478
- FT-0751344
- Phenoxyacetonirile;Phenoxyacetonitrile
- AKOS000189940
- SCHEMBL180023
- NSC-49354
- EN300-32030
- 3598-14-9
- QU78TF2FK8
- DTXCID00238306
- DB-069288
- Phenoxyacetonitrile; Acetonitrile, 2-phenoxy-; Acetonitrile, phenoxy- (6CI,7CI,8CI,9CI); 2-Phenoxyacetonitrile; NSC 49354; Phenoxyacetonitrile
- STL581727
- 2-phenoxyacetonitrile
-
- MDL: MFCD00052017
- Inchi: 1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
- InChI Key: VLLSCJFPVSQXDM-UHFFFAOYSA-N
- SMILES: O(CC#N)C1C=CC=CC=1
- BRN: 2206192
Computed Properties
- Exact Mass: 133.05300
- Monoisotopic Mass: 133.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 129
- 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: 2.1
- Topological Polar Surface Area: 33
Experimental Properties
- Color/Form: Uncertain
- Density: 1.09?g/mL?at 25?°C(lit.)
- Boiling Point: 112°C/10mmHg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.524(lit.)
- PSA: 33.02000
- LogP: 1.58898
- Solubility: Uncertain
2-phenoxyacetonitrile Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H302+H312+H332-H315-H319
- Warning Statement: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Hazardous Material transportation number:3276
- WGK Germany:3
- Hazard Category Code: 20/21/22
- Safety Instruction: S36
-
Hazardous Material Identification:
- HazardClass:6.1
- PackingGroup:III
- Risk Phrases:R20/21/22
- Packing Group:III
- Safety Term:6.1
- Packing Group:III
- Hazard Level:6.1
2-phenoxyacetonitrile 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%
2-phenoxyacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P160111-100g |
2-phenoxyacetonitrile |
3598-14-9 | >98.0%(GC) | 100g |
¥2689.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P160111-25g |
2-phenoxyacetonitrile |
3598-14-9 | >98.0%(GC) | 25g |
¥976.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P160111-1g |
2-phenoxyacetonitrile |
3598-14-9 | >98.0%(GC) | 1g |
¥86.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P160111-5g |
2-phenoxyacetonitrile |
3598-14-9 | >98.0%(GC) | 5g |
¥244.90 | 2023-09-01 | |
| Alichem | A019145770-25g |
2-Phenoxyacetonitrile |
3598-14-9 | 97% | 25g |
$203.84 | 2023-09-02 | |
| Alichem | A019145770-100g |
2-Phenoxyacetonitrile |
3598-14-9 | 97% | 100g |
$519.00 | 2023-09-02 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D852327-1g |
Phenoxyacetonitrile |
3598-14-9 | ≥97% | 1g |
¥128.70 | 2022-01-11 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 499757-5ML |
2-phenoxyacetonitrile |
3598-14-9 | 98% | 5ML |
¥384.51 | 2022-02-24 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | P2217-5g |
2-phenoxyacetonitrile |
3598-14-9 | 98.0%(GC) | 5g |
¥535.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | P2217-25g |
2-phenoxyacetonitrile |
3598-14-9 | 98.0%(GC) | 25g |
¥2310.0 | 2022-06-10 |
2-phenoxyacetonitrile Suppliers
2-phenoxyacetonitrile Related Literature
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1. Light-induced rearrangement of aryloxyacetonitrilesK. J. S. Arora,M. K. M. Dirania,J. Hill J. Chem. Soc. C 1971 2865
-
Mengping Guo,Yingmin Li,Yongju Wen,Xiuli Shen RSC Adv. 2023 13 2631
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Eder Tomás-Mendivil,Francisco J. Suárez,Josefina Díez,Victorio Cadierno Chem. Commun. 2014 50 9661
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Thao T. Nguyen,Jun-Hyeong Kim,Suyeon Kim,Changjin Oh,Marco Flores,Thomas L. Groy,Mu-Hyun Baik,Ryan J. Trovitch Chem. Commun. 2020 56 3959
-
Marco Bandini Org. Biomol. Chem. 2013 11 5206
Additional information on 2-phenoxyacetonitrile
Professional Introduction to 2-phenoxyacetonitrile (CAS No. 3598-14-9)
2-phenoxyacetonitrile, with the chemical formula C?H?NO, is a versatile intermediate in organic synthesis, playing a pivotal role in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its molecular structure, featuring a phenoxy group attached to an acetonitrile moiety, endows it with unique reactivity that makes it invaluable in synthetic chemistry. This compound is primarily recognized for its utility in constructing complex molecules, particularly in the pharmaceutical industry, where it serves as a precursor for numerous bioactive agents.
The significance of 2-phenoxyacetonitrile (CAS No. 3598-14-9) is further underscored by its applications in the synthesis of active pharmaceutical ingredients (APIs). Recent advancements in medicinal chemistry have highlighted its role in the development of novel therapeutic agents targeting various diseases. For instance, studies have demonstrated its utility in constructing heterocyclic scaffolds that exhibit potent biological activity. The phenoxy group provides a favorable electronic and steric environment for further functionalization, enabling the design of molecules with enhanced pharmacological properties.
In the realm of agrochemicals, 2-phenoxyacetonitrile (CAS No. 3598-14-9) has been utilized as a key intermediate in the synthesis of herbicides and pesticides. Its structural features allow for the development of compounds that interact selectively with biological targets in plants and pests, contributing to more efficient and sustainable agricultural practices. The growing demand for environmentally friendly agrochemicals has spurred research into optimizing synthetic routes involving this compound to minimize waste and improve yields.
Recent research has also explored the role of 2-phenoxyacetonitrile (CAS No. 3598-14-9) in material science. Its ability to undergo various chemical transformations makes it a valuable building block for polymers and advanced materials. For example, researchers have investigated its incorporation into polymer matrices to enhance thermal stability and mechanical strength. These findings open up new possibilities for applications in high-performance materials used in electronics, aerospace, and automotive industries.
The synthesis of 2-phenoxyacetonitrile (CAS No. 3598-14-9) typically involves the reaction of phenoxyacetic acid with cyanogen bromide or other cyanating agents under controlled conditions. Advances in synthetic methodologies have led to more efficient and scalable production processes, reducing costs and improving purity. These improvements are crucial for meeting the increasing demand for this compound in industrial applications.
From a regulatory perspective, ensuring the quality and consistency of 2-phenoxyacetonitrile (CAS No. 3598-14-9) is essential for its safe and effective use across various industries. Manufacturers must adhere to stringent quality control measures to guarantee that the compound meets the required specifications. This includes rigorous testing for purity, absence of impurities, and compliance with international standards such as those set by the International Council for Harmonisation (ICH).
The future prospects of 2-phenoxyacetonitrile (CAS No. 3598-14-9) are promising, with ongoing research aimed at expanding its applications and improving its synthesis methods. Collaborative efforts between academia and industry are likely to drive innovation, leading to new derivatives and functionalities that could revolutionize multiple sectors. As our understanding of molecular interactions deepens, so too will the potential uses of this versatile intermediate.
In conclusion, 2-phenoxyacetonitrile (CAS No. 3598-14-9) remains a cornerstone in organic synthesis, with far-reaching implications in pharmaceuticals, agrochemicals, and material science. Its unique properties and broad utility ensure its continued relevance in addressing global challenges across multiple domains.
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