Cas no 501427-88-9 (ethyl 4-(2-cyanophenyl)benzoate)
Ethyl 4-(2-cyanophenyl)benzoate is a synthetic organic compound featuring a benzoate ester core substituted with a 2-cyanophenyl group. This structure lends the molecule utility as an intermediate in pharmaceutical and fine chemical synthesis, particularly in the development of active pharmaceutical ingredients (APIs) and specialty materials. The presence of both ester and nitrile functional groups enhances its reactivity, enabling further derivatization under mild conditions. Its well-defined purity and stability make it suitable for controlled reactions in heterocyclic chemistry and polymer research. The compound is typically handled under standard laboratory conditions, with compatibility in common organic solvents, facilitating its use in multi-step synthetic processes.
501427-88-9 structure
Product Name:ethyl 4-(2-cyanophenyl)benzoate
CAS No:501427-88-9
MF:C16H13NO2
MW:251.279924154282
MDL:MFCD21332965
CID:2829147
PubChem ID:70700043
Update Time:2025-10-28
ethyl 4-(2-cyanophenyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 4-(2-cyanophenyl)benzoate
- 2'-cyanobiphenyl-4-carboxylic acid ethyl ester;ethyl 2'-cyanobiphenyl-4-carboxylate;
- DTXSID20743088
- Ethyl4-(2-cyanophenyl)benzoate
- BS-28767
- CS-0211376
- 501427-88-9
- Ethyl 2'-cyano[1,1'-biphenyl]-4-carboxylate
- MFCD21332965
-
- MDL： MFCD21332965
- Inchi： 1S/C16H13NO2/c1-2-19-16(18)13-9-7-12(8-10-13)15-6-4-3-5-14(15)11-17/h3-10H,2H2,1H3
- InChI Key： TVVQJLZUDQSXEA-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(=CC=1)C1C=CC=CC=1C#N)=O
Computed Properties
- Exact Mass: 251.09500
- Monoisotopic Mass: 251.094628657Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 349
- 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: 3.5
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09000
- LogP: 3.40198
ethyl 4-(2-cyanophenyl)benzoate 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%
ethyl 4-(2-cyanophenyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E926298-100mg |
Ethyl 4-(2-cyanophenyl)benzoate |
501427-88-9 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | E926298-250mg |
Ethyl 4-(2-cyanophenyl)benzoate |
501427-88-9 | 250mg |
$69.00 | 2023-05-18 | ||
| TRC | E926298-500mg |
Ethyl 4-(2-cyanophenyl)benzoate |
501427-88-9 | 500mg |
$92.00 | 2023-05-18 | ||
| TRC | E926298-1g |
Ethyl 4-(2-cyanophenyl)benzoate |
501427-88-9 | 1g |
$133.00 | 2023-05-18 | ||
| abcr | AB310543-1 g |
Ethyl 4-(2-cyanophenyl)benzoate; 97% |
501427-88-9 | 1g |
€144.00 | 2023-04-26 | ||
| abcr | AB310543-5 g |
Ethyl 4-(2-cyanophenyl)benzoate; 97% |
501427-88-9 | 5g |
€348.00 | 2023-04-26 | ||
| abcr | AB310543-1g |
Ethyl 4-(2-cyanophenyl)benzoate, 97%; . |
501427-88-9 | 97% | 1g |
€144.00 | 2024-06-08 | |
| abcr | AB310543-5g |
Ethyl 4-(2-cyanophenyl)benzoate, 97%; . |
501427-88-9 | 97% | 5g |
€348.00 | 2024-06-08 | |
| A2B Chem LLC | AG32809-1g |
Ethyl 4-(2-cyanophenyl)benzoate |
501427-88-9 | ≥ 97 % | 1g |
$205.00 | 2024-04-19 | |
| A2B Chem LLC | AG32809-5g |
Ethyl 4-(2-cyanophenyl)benzoate |
501427-88-9 | ≥ 97 % | 5g |
$472.00 | 2024-04-19 |
ethyl 4-(2-cyanophenyl)benzoate Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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