Cas no 3468-53-9 (Phenyl nicotinate)
Phenyl nicotinate is an organic compound with the molecular formula C12H9NO2, formed by the esterification of nicotinic acid and phenol. It appears as a white to off-white crystalline powder with limited solubility in water but better solubility in organic solvents. This compound is primarily utilized as an intermediate in pharmaceutical synthesis, particularly in the development of vasodilatory and anti-inflammatory agents. Its ester linkage offers stability under controlled conditions, making it suitable for controlled-release formulations. Phenyl nicotinate is also studied for its potential role in improving blood circulation. Handling requires standard laboratory precautions due to its moderate reactivity. Storage recommendations include protection from light and moisture to maintain stability.
Phenyl nicotinate structure
Product Name:Phenyl nicotinate
CAS No:3468-53-9
MF:C12H9NO2
MW:199.205363035202
MDL:MFCD00023581
CID:84759
PubChem ID:77018
Update Time:2025-10-31
Phenyl nicotinate Chemical and Physical Properties
Names and Identifiers
-
- Phenyl nicotinate
- Nicotinic acid phenyl ester~Phenyl pyridine-3-carboxylate
- phenyl pyridine-3-carboxylate
- 3-phenoxycarbonylpyridine
- 3-Pyridinecarboxylic acid,phenyl ester
- Nicotinic acid,phenyl ester
- Nicotinsaeure-phenylester
- Phenyl 3-pyridinecarboxylate
- UNII-VRD2L6RM16
- Q27291985
- VRD2L6RM16
- 3468-53-9
- AI3-15758
- Pyridine-3-carboxylic acid, phenyl ester
- NSC75878
- FT-0634870
- MFCD00023581
- Phenyl pyridine-2-carboxylate (Ia)
- Nicotinic acid, phenyl ester
- EINECS 222-428-9
- Phenylnicotinate
- SCHEMBL502583
- DTXSID3063045
- NS00029710
- InChI=1/C12H9NO2/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11/h1-9H
- NSC 75878
- Nicotinic Acid Phenyl Ester
- AS-75906
- AKOS024286208
- Phenyl pyridine-2-carboxylate (Ib)
- 3-Pyridinecarboxylic acid, phenyl ester
- NSC-75878
- QEJPOSAIULNDLU-UHFFFAOYSA-
- DB-048674
-
- MDL： MFCD00023581
- Inchi： 1S/C12H9NO2/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11/h1-9H
- InChI Key： QEJPOSAIULNDLU-UHFFFAOYSA-N
- SMILES： O(C(C1C=NC=CC=1)=O)C1C=CC=CC=1
- BRN： 140968
Computed Properties
- Exact Mass: 199.06300
- Monoisotopic Mass: 199.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 212
- 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: nothing
- Topological Polar Surface Area: 39.2A^2
Experimental Properties
- Color/Form: Not determined
- Density: 1.1919 (rough estimate)
- Melting Point: 70-72°C
- Boiling Point: 186-188°C 20mm
- Flash Point: 186-188°C/20mm
- Refractive Index: 1.5880 (estimate)
- PSA: 39.19000
- LogP: 2.30080
- Solubility: Not determined
Phenyl nicotinate Security Information
- Signal Word：Warning
- Hazard Category Code： 36/37/38
- Safety Instruction： S26-S36/37/39
- TSCA：Yes
- Safety Term：S28;S36/37/39
- Risk Phrases：R36/37/38; R43
- Storage Condition：Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Phenyl nicotinate Customs Data
- HS CODE：2933399090
- Customs Data：
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Phenyl nicotinate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB134014-25 g |
Phenyl nicotinate, 99%; . |
3468-53-9 | 99% | 25g |
€76.00 | 2022-06-02 | |
| abcr | AB134014-100 g |
Phenyl nicotinate, 99%; . |
3468-53-9 | 99% | 100g |
€192.00 | 2022-06-02 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | B22219-5g |
Phenyl nicotinate, 99% |
3468-53-9 | 99% | 5g |
￥221.00 | 2023-02-25 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | B22219-25g |
Phenyl nicotinate, 99% |
3468-53-9 | 99% | 25g |
￥743.00 | 2023-02-25 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | B22219-100g |
Phenyl nicotinate, 99% |
3468-53-9 | 99% | 100g |
￥2385.00 | 2023-02-25 | |
| abcr | AB134014-25g |
Phenyl nicotinate, 99%; . |
3468-53-9 | 99% | 25g |
€76.00 | 2024-04-17 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1157239-5g |
Phenyl nicotinate |
3468-53-9 | 98% | 5g |
￥766.00 | 2024-05-17 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1157239-25g |
Phenyl nicotinate |
3468-53-9 | 98% | 25g |
￥2156.00 | 2024-05-17 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1157239-100g |
Phenyl nicotinate |
3468-53-9 | 98% | 100g |
￥6763.00 | 2024-05-17 | |
| A2B Chem LLC | AB78256-1g |
Phenyl nicotinate |
3468-53-9 | 98% | 1g |
$30.00 | 2024-04-20 |
Phenyl nicotinate Related Literature
-
Eirik Mydske Thoresen,David Balcells,Sigurd ?ien-?degaard,Knut Tormodss?nn Hylland,Mats Tilset,Mohamed Amedjkouh Dalton Trans. 2018 47 2589
-
H. A. Ahmed,M. Hagar,O. A. Alhaddad RSC Adv. 2019 9 16366
-
3. A green synthetic approach to synthesizing diverse 2-pyridones for their exceptional UV shielding functionsShizuka Mei Bautista Maezono,Tej Narayan Poudel,Likai Xia,Yong Rok Lee RSC Adv. 2016 6 82321
-
Gurpreet Kour,Monika Gupta,B. Vishwanathan,K. Thirunavukkarasu New J. Chem. 2016 40 8535
-
Seth M. Barrett,Cheng Wang,Wenbin Lin J. Mater. Chem. 2012 22 10329
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