Cas no 84603-14-5 (2-(3-tert-butylphenyl)acetonitrile)

2-(3-tert-butylphenyl)acetonitrile structure
84603-14-5 structure
Product Name:2-(3-tert-butylphenyl)acetonitrile
CAS No:84603-14-5
MF:C12H15N
MW:173.254203081131
MDL:MFCD09924140
CID:725587
PubChem ID:3019968
Update Time:2025-04-19

2-(3-tert-butylphenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile,3-(1,1-dimethylethyl)-
    • (3-tert-butylphenyl)acetonitrile
    • 2-(3-tert-butylphenyl)acetonitrile
    • SCHEMBL9967842
    • EINECS 283-251-0
    • DTXSID40233577
    • EN300-822208
    • NS00038563
    • 84603-14-5
    • AKOS006312823
    • 2-(3-(tert-butyl)phenyl)acetonitrile
    • MDL： MFCD09924140
    • Inchi： 1S/C12H15N/c1-12(2,3)11-6-4-5-10(9-11)7-8-13/h4-6,9H,7H2,1-3H3
    • InChI Key： MTMAASUQMKRKKW-UHFFFAOYSA-N
    • SMILES： N#CCC1=CC=CC(=C1)C(C)(C)C

Computed Properties

  • Exact Mass: 173.12
  • Monoisotopic Mass: 173.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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: 3.2
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • Density: 0.95
  • Boiling Point: 261.9°C at 760 mmHg
  • Flash Point: 113.1°C
  • Refractive Index: 1.505

2-(3-tert-butylphenyl)acetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-822208-0.05g
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Enamine
EN300-822208-10.0g
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 84603-14-5 95.0%
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Enamine
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Enamine
EN300-822208-5g
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