Cas no 749920-57-8 (3-Chloro-4-ethoxy-5-methoxy-benzonitrile)

3-Chloro-4-ethoxy-5-methoxy-benzonitrile is a substituted benzonitrile derivative featuring chloro, ethoxy, and methoxy functional groups on the aromatic ring. This compound is of interest in organic synthesis and pharmaceutical research due to its versatile reactivity, particularly as a building block for more complex molecules. The presence of electron-donating (ethoxy, methoxy) and electron-withdrawing (chloro, nitrile) groups enhances its utility in cross-coupling reactions and other transformations. Its well-defined structure and stability make it suitable for applications in medicinal chemistry, agrochemicals, and material science. The compound is typically handled under standard laboratory conditions, with purity and consistency being key attributes for research use.
3-Chloro-4-ethoxy-5-methoxy-benzonitrile structure
749920-57-8 structure
Product Name:3-Chloro-4-ethoxy-5-methoxy-benzonitrile
CAS No:749920-57-8
MF:C10H10ClNO2
MW:211.644901752472
CID:3057903
PubChem ID:2120280
Update Time:2025-06-07

3-Chloro-4-ethoxy-5-methoxy-benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-4-ethoxy-5-methoxy-benzonitrile
    • G36182
    • CS-0305275
    • 749920-57-8
    • SR-01000053484
    • AKOS000304857
    • Z56989641
    • SR-01000053484-1
    • 3-chloro-4-ethoxy-5-methoxybenzonitrile
    • EN300-09994
    • Inchi： 1S/C10H10ClNO2/c1-3-14-10-8(11)4-7(6-12)5-9(10)13-2/h4-5H,3H2,1-2H3
    • InChI Key： ZZHNEMWUMPVWCV-UHFFFAOYSA-N
    • SMILES： ClC1=CC(C#N)=CC(=C1OCC)OC

Computed Properties

  • Exact Mass: 211.0400063Da
  • Monoisotopic Mass: 211.0400063Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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: 2.6
  • Topological Polar Surface Area: 42.3?2

3-Chloro-4-ethoxy-5-methoxy-benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Aaron
AR019KDM-50mg
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
50mg
 $83.00 2025-02-14
Aaron
AR019KDM-100mg
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
100mg
 $116.00 2025-02-14
Aaron
AR019KDM-250mg
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
250mg
 $152.00 2025-02-14
Aaron
AR019KDM-500mg
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
500mg
 $266.00 2025-02-14
Aaron
AR019KDM-1g
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
1g
 $377.00 2025-02-14
Aaron
AR019KDM-2.5g
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
2.5g
 $717.00 2025-02-14
Aaron
AR019KDM-5g
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
5g
 $1047.00 2023-12-15
Aaron
AR019KDM-10g
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
10g
 $1539.00 2023-12-15
1PlusChem
1P019K5A-50mg
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
50mg
 $111.00 2024-04-21
1PlusChem
1P019K5A-100mg
3-chloro-4-ethoxy-5-methoxybenzonitrile
 749920-57-8 95%
100mg
 $140.00 2024-04-21

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