Cas no 1943-67-5 (1-tert-butyl-4-isocyanatobenzene)

1-tert-Butyl-4-isocyanatobenzene is an aromatic isocyanate compound characterized by the presence of a tert-butyl substituent on the benzene ring. This structural feature enhances steric hindrance, influencing reactivity and stability in chemical applications. The isocyanate functional group (–NCO) enables its use as a versatile intermediate in the synthesis of ureas, carbamates, and polyurethane materials. The tert-butyl group contributes to improved solubility in organic solvents and may modulate electronic effects during reactions. This compound is particularly valuable in specialized polymer chemistry and crosslinking applications, where controlled reactivity and tailored material properties are required. Proper handling is essential due to the moisture sensitivity of the isocyanate group.
1-tert-butyl-4-isocyanatobenzene structure
1943-67-5 structure
Product Name:1-tert-butyl-4-isocyanatobenzene
CAS No:1943-67-5
MF:C11H13NO
MW:175.227022886276
MDL:MFCD00040718
CID:118231
PubChem ID:2735695
Update Time:2025-06-06

1-tert-butyl-4-isocyanatobenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(1,1-dimethylethyl)-4-isocyanato-
    • 1-tert-Butyl-4-isocyanatobenzene
    • 4-(tert-butyl)phenyl isocyanate
    • 4-Tert-Butylphenyl Isocyanate
    • 1-isocyanato-4-tert-butylbenzene
    • para-t-butylphenyl isocyanate
    • 4-(tert-Butyl)phenylisocyanate97%
    • 4-(tert-butyl) phenyl isocyanate
    • 4-tert.butyl-phenyl-isocyanate
    • 4-t-butylphenylisocyanate
    • DTXSID70370888
    • FT-0616863
    • EN300-146859
    • 4-t-butyl-phenyl isocyanate
    • AKOS000188475
    • 4-(tert-butyl)-phenyl isocyanate
    • 4-tert-butylPHENylisoCYANATE
    • 1-isocyanato-4-(tert-butyl)benzene
    • 4-tert-butyl-phenyl-isocyanate
    • F2160-0016
    • A813727
    • 4-tertbutylphenyl isocyanate
    • 4-tert-Butylphenyl isocyanate, 97%
    • WUWBDQJTQTVBSQ-UHFFFAOYSA-N
    • 4-Tert-Butylphenyl-Isocyanate
    • Benzene, 1-(1,1-dimethylethyl)-4-isocyanato-
    • 1-(tert-butyl)-4-isocyanatobenzene
    • 1943-67-5
    • 1-tert-butyl4-isocyanatobenzene
    • W-200196
    • 4-tert-butyl phenylisocyanate
    • Propanedial,1H-benzimidazol-2-yl-(9CI)
    • 4-tert.butyl-phenylisocyanat
    • 1-tert-butyl-4-isocyanato-benzene
    • MFCD00040718
    • SCHEMBL827333
    • GEO-02564
    • BAA94367
    • AS-59890
    • DB-065851
    • A12214
    • 1-tert-butyl-4-isocyanatobenzene
    • MDL： MFCD00040718
    • Inchi： 1S/C11H13NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3
    • InChI Key： WUWBDQJTQTVBSQ-UHFFFAOYSA-N
    • SMILES： O=C=NC1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 175.10000
  • Monoisotopic Mass: 175.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.4
  • Topological Polar Surface Area: 29.4A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.986?g/mL?at 25?°C(lit.)
  • Boiling Point: 236-237?°C(lit.)
  • Flash Point: Fahrenheit: 208.4 ° f
    Celsius: 98 ° c
  • Refractive Index: n20/D 1.5190(lit.)
  • PSA: 29.43000
  • LogP: 2.95140
  • Solubility: Not determined

1-tert-butyl-4-isocyanatobenzene Security Information

1-tert-butyl-4-isocyanatobenzene Customs Data

  • HS CODE：2929109000
  • Customs Data：

    China Customs Code:

    2929109000

    Overview:

    2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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