Cas no 77474-62-5 (1,2-Benzenedicarbonitrile,3-phenoxy-)
1,2-Benzenedicarbonitrile,3-phenoxy- is a specialized aromatic compound featuring a benzene ring substituted with two nitrile groups and a phenoxy moiety. This structure imparts unique reactivity, making it valuable in organic synthesis, particularly in the preparation of heterocyclic compounds and advanced intermediates. Its dual nitrile functionality allows for versatile transformations, including cyclization and condensation reactions, while the phenoxy group enhances solubility and stability in various solvents. The compound is commonly utilized in pharmaceutical and agrochemical research due to its potential as a building block for active ingredients. High purity grades ensure consistent performance in demanding applications. Proper handling and storage are recommended due to its reactivity.
77474-62-5 structure
Product Name:1,2-Benzenedicarbonitrile,3-phenoxy-
CAS No:77474-62-5
MF:C14H8N2O
MW:220.22612285614
CID:549965
PubChem ID:853691
Update Time:2025-06-07
1,2-Benzenedicarbonitrile,3-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile,3-phenoxy-
- 3-PHENOXY PHTHALONITRILE
- 3-phenoxybenzene-1,2-dicarbonitrile
- 1,2-dicyano-3-phenoxybenzene
- 3-Phenoxy-1,2-benzenedicarbonitrile
- 418129_SIAL
- AC1LGY0C
- AC1Q4R3Z
- AG-H-10106
- CTK5E4529
- SureCN669346
- 3-Phenoxy-phthalonitrile
- phenoxyphthalonitrile
- SCHEMBL669346
- 3-Phenoxyphthalonitrile, 98%
- XTWFKMOELYYKGC-UHFFFAOYSA-N
- AKOS015889224
- 77474-62-5
- DTXSID90357479
- 3-PHENOXYPHTHALONITRILE 98
- MFCD00192388
- 3-Phenoxyphthalonitrile
- DTXCID00308538
-
- Inchi： 1S/C14H8N2O/c15-9-11-5-4-8-14(13(11)10-16)17-12-6-2-1-3-7-12/h1-8H
- InChI Key： XTWFKMOELYYKGC-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1C=CC=C(C#N)C=1C#N
Computed Properties
- Exact Mass: 220.06374
- Monoisotopic Mass: 220.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 342
- 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: 2.9
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- Density: 1.24
- Melting Point: 117-119?°C(lit.)
- Boiling Point: 388.4°C at 760 mmHg
- Flash Point: 160.6°C
- Refractive Index: 1.625
- PSA: 56.81
1,2-Benzenedicarbonitrile,3-phenoxy- Security Information
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： 26-36
-
Hazardous Material Identification：
- Risk Phrases：20/21/22-36/37/38
- Safety Term：26-36
1,2-Benzenedicarbonitrile,3-phenoxy- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA02608-1g |
1,2-Benzenedicarbonitrile,3-phenoxy- |
77474-62-5 | 1g |
￥2218.0 | 2021-09-04 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-214153-1 g |
3-Phenoxyphthalonitrile, |
77474-62-5 | 1g |
￥1,158.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-214153-1g |
3-Phenoxyphthalonitrile, |
77474-62-5 | 1g |
￥1158.00 | 2023-09-05 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1945433-1g |
3-Phenoxyphthalonitrile |
77474-62-5 | 98% | 1g |
￥1776.00 | 2024-07-28 | |
| Crysdot LLC | CD12031829-1g |
3-Phenoxy-phthalonitrile |
77474-62-5 | 95+% | 1g |
$233 | 2024-07-24 |
1,2-Benzenedicarbonitrile,3-phenoxy- Related Literature
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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