Cas no 111944-21-9 ((3-isocyanopropyl)benzene)

(3-isocyanopropyl)benzene structure
(3-isocyanopropyl)benzene structure
Product Name:(3-isocyanopropyl)benzene
CAS No:111944-21-9
MF:C10H11N
MW:145.201042413712
CID:135390
PubChem ID:2734775
Update Time:2025-04-19

(3-isocyanopropyl)benzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,(3-isocyanopropyl)-
    • 3-isocyanopropylbenzene
    • 3-PHENYLPROPYL ISOCYANIDE
    • NULL
    • (3-ISOCYANOPROPYL)BENZENE
    • 3-Phenylpropyl isocyanide(3-Isocyanopropyl)benzene
    • 3-Phenylpropylisocyanide
    • J-002664
    • DTXSID20370499
    • FT-0690392
    • AKOS006342686
    • 111944-21-9
    • Benzene, (3-isocyanopropyl)-
    • EN300-1869236
    • GS-0091
    • A802450
    • 3-Phenylpropyl isocyanide,96%
    • (3-isocyanopropyl)benzene
    • MDL: MFCD02664668
    • Inchi: 1S/C10H11N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2
    • InChI Key: ZQMZCHTXHCEALS-UHFFFAOYSA-N
    • SMILES: [N+](#[C-])CCCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 145.08900
  • Monoisotopic Mass: 145.089149355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 136
  • 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: 2.2
  • Topological Polar Surface Area: 4.4?2

Experimental Properties

  • Density: 0.94
  • Boiling Point: 90 °C (7.501 mmHg)
  • Refractive Index: 1.512-1.514
  • PSA: 0.00000
  • LogP: 1.76920

(3-isocyanopropyl)benzene Security Information

  • Hazard Category Code: 36/37/38-20/21/22
  • Safety Instruction: 36/37/39-26
  • Hazardous Material Identification: Xn
  • Safety Term:S36/37/39-26
  • Risk Phrases:R36/37/38

(3-isocyanopropyl)benzene Pricemore >>

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