Cas no 188797-88-8 (2-Phenyl-nicotinic acid methylester)

2-Phenyl-nicotinic acid methylester is a versatile organic compound primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its structure, featuring a phenyl-substituted nicotinate ester, offers reactivity suitable for further functionalization, making it valuable in the development of active ingredients. The ester group enhances solubility in organic solvents, facilitating its use in various reaction conditions. This compound is particularly noted for its stability under standard handling conditions, ensuring consistent performance in synthetic applications. Its well-defined molecular framework allows for precise modifications, supporting research in medicinal chemistry and material science. Proper storage in a cool, dry environment is recommended to maintain its integrity.
2-Phenyl-nicotinic acid methylester structure
188797-88-8 structure
Product Name:2-Phenyl-nicotinic acid methylester
CAS No:188797-88-8
MF:C13H11NO2
MW:213.231943368912
MDL:MFCD07357448
CID:66353
PubChem ID:10751082
Update Time:2025-06-08

2-Phenyl-nicotinic acid methylester Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-phenylnicotinate
    • 2-Phenylnicotinic acid methyl ester
    • 2-Phenyl-nicotinic acid methyl ester
    • methyl 2-phenylpyridine-3-carboxylate
    • 3-Pyridinecarboxylic acid, 2-phenyl-, methyl ester
    • MFCD07357448
    • A26188
    • D94603
    • KWUIFNXSOUKTKE-UHFFFAOYSA-N
    • SCHEMBL7649536
    • 188797-88-8
    • DTXSID10444370
    • Methyl2-phenylnicotinate
    • CS-0150861
    • FT-0645199
    • AC-9575
    • AKOS015891522
    • DB-028187
    • 2-Phenyl-nicotinic acid methylester
    • MDL: MFCD07357448
    • Inchi: 1S/C13H11NO2/c1-16-13(15)11-8-5-9-14-12(11)10-6-3-2-4-7-10/h2-9H,1H3
    • InChI Key: KWUIFNXSOUKTKE-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=CN=C1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 213.07900
  • Monoisotopic Mass: 213.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 236
  • 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: 2.4
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Density: 1.147
  • Boiling Point: 346.4°Cat760mmHg
  • Flash Point: 163.3°C
  • Refractive Index: 1.567
  • PSA: 39.19000
  • LogP: 2.53520

2-Phenyl-nicotinic acid methylester Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    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%

2-Phenyl-nicotinic acid methylester Pricemore >>

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2-Phenyl-nicotinic acid methylester Related Literature

  • 1. Synthesis of tetrasubstituted pyridines by the acid-catalysed Bohlmann–Rahtz reaction
    Mark C. Bagley,Christian Brace,James W. Dale,Maren Ohnesorge,Nathan G. Phillips,Xin Xiong,Justin Bower J. Chem. Soc. Perkin Trans. 1 2002 1663
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