Cas no 105442-35-1 (Benzene,1,1'-methylenebis[2,6-diethyl-4-isocyanato-)

Benzene,1,1'-methylenebis[2,6-diethyl-4-isocyanato- structure
105442-35-1 structure
Product Name:Benzene,1,1'-methylenebis[2,6-diethyl-4-isocyanato-
CAS No:105442-35-1
MF:C23H26N2O2
MW:362.464745998383
CID:126724
PubChem ID:4608373
Update Time:2024-11-03

Benzene,1,1'-methylenebis[2,6-diethyl-4-isocyanato- Chemical and Physical Properties

Names and Identifiers

    • 4,4'-Diisocyanato-3,3',5,5'-tetraethyldiphenylmethane
    • 5-[(3,5-diethyl-4-isocyanatophenyl)methyl]-1,3-diethyl-2-isocyanatobenzene
    • 4,4 inverted exclamation marka-Methylenebis(2,6-diethylphenyl isocyanate)
    • 4,4'-Methylenebis(2,6-diethylphenyl isocyanate)
    • 105442-35-1
    • 4,4'-Methylenebis(2,6-diethylphenyl isocyanate), 98%
    • 4,4/'-DIISOCYANATO-3,3/',5,5/'-TETRAETHYLDIPHENYLMETHANE
    • SCHEMBL80318
    • OQDCXRFLJMVOCC-UHFFFAOYSA-N
    • DTXSID30404830
    • FT-0617060
    • Benzene,1,1'-methylenebis[2,6-diethyl-4-isocyanato-
    • Inchi： 1S/C23H26N2O2/c1-5-18-10-16(11-19(6-2)22(18)24-14-26)9-17-12-20(7-3)23(25-15-27)21(8-4)13-17/h10-13H,5-9H2,1-4H3
    • InChI Key： OQDCXRFLJMVOCC-UHFFFAOYSA-N
    • SMILES： O=C=NC1=C(CC)C=C(C=C1CC)CC1C=C(CC)C(=C(CC)C=1)N=C=O

Computed Properties

  • Exact Mass: 362.19900
  • Monoisotopic Mass: 362.199428076g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 8
  • Complexity: 475
  • 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: 8.6
  • Topological Polar Surface Area: 58.9?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.04
  • Melting Point: 55-57?°C(lit.)
  • Boiling Point: 494.1°C at 760 mmHg
  • Flash Point: 203°C
  • Refractive Index: 1.551
  • PSA: 58.86000
  • LogP: 5.46160
  • Solubility: Not determined

Benzene,1,1'-methylenebis[2,6-diethyl-4-isocyanato- Security Information

  • Hazardous Material transportation number：UN 2811
  • WGK Germany：3
  • Hazard Category Code： 20/21/22-36/37
  • Safety Instruction： S26; S36
  • Hazardous Material Identification： Xn
  • Packing Group：III
  • Hazard Level：6.1(b)
  • HazardClass：6.1(b)
  • PackingGroup：III
  • Safety Term：6.1(b)
  • Packing Group：III
  • Risk Phrases：R20/21/22; R36/37

Benzene,1,1'-methylenebis[2,6-diethyl-4-isocyanato- 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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