Cas no 103261-67-2 (Methyl 4-cyano-2-methylbenzoate)

Methyl 4-cyano-2-methylbenzoate structure
103261-67-2 structure
Product Name:Methyl 4-cyano-2-methylbenzoate
CAS No:103261-67-2
MF:C10H9NO2
MW:175.183962583542
MDL:MFCD18399110
CID:842496
PubChem ID:18766060
Update Time:2025-04-19

Methyl 4-cyano-2-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-cyano-2-methylbenzoate
    • 4-cyano-2-methylBenzoic acid methyl ester
    • Methyl-4-Cyano-2-methylbenzoate
    • 4-Cyan-2-methyl-benzoesaeure-methylester
    • 4-cyano-2-methyl-benzoic acid methyl ester
    • ACT07415
    • AK112712
    • CTK3J5647
    • FT-0687140
    • KB-54356
    • KSC495M4P
    • methyl 4-cyano methyl benzoate
    • methyl 4-cyano-o-toluate
    • SureCN289565
    • PDQNYPAJSAVURS-UHFFFAOYSA-N
    • BCP19696
    • CL8568
    • 0775AA
    • ST24047916
    • MFCD18399110
    • DTXSID90596104
    • AKOS016010194
    • DA-19165
    • SCHEMBL289565
    • SY111738
    • DS-5760
    • Methyl4-cyano-2-methylbenzoate
    • CS-B1028
    • EN300-117813
    • 103261-67-2
    • MDL： MFCD18399110
    • Inchi： 1S/C10H9NO2/c1-7-5-8(6-11)3-4-9(7)10(12)13-2/h3-5H,1-2H3
    • InChI Key： PDQNYPAJSAVURS-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=CC(C#N)=CC=1C)=O

Computed Properties

  • Exact Mass: 175.063328530g/mol
  • Monoisotopic Mass: 175.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 241
  • 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: 2.5
  • Topological Polar Surface Area: 50.1

Experimental Properties

  • Color/Form: No data available
  • Density: 1.15±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 302.7±30.0 °C at 760 mmHg
  • Flash Point: 140.1±11.3 °C
  • Solubility: Very slightly soluble (0.54 g/l) (25 o C),
  • PSA: 50.09000
  • LogP: 1.65328

Methyl 4-cyano-2-methylbenzoate Security Information

Methyl 4-cyano-2-methylbenzoate Pricemore >>

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