Cas no 84381-54-4 (4-Diethylaminophenyl isothiocyanate)

4-Diethylaminophenyl isothiocyanate structure
84381-54-4 structure
Product Name:4-Diethylaminophenyl isothiocyanate
CAS No:84381-54-4
MF:C11H14N2S
MW:206.307260990143
MDL:MFCD00041094
CID:90883
PubChem ID:145027
Update Time:2025-04-18

4-Diethylaminophenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 4-Diethylaminophenyl isothiocyanate
    • N,N-diethyl-4-isothiocyanatoaniline
    • N,N-Diaethyl-4-isothiocyanato-anilin
    • N,N-diethyl-4-isothiocyanato-aniline
    • SCHEMBL1456966
    • PGWXUTHWTCRUAM-UHFFFAOYSA-N
    • GEO-04702
    • N,N-Diethyl-4-isothiocyanatoaniline #
    • MFCD00041094
    • FT-0618345
    • DTXSID201004655
    • AKOS003353809
    • A840769
    • E81894
    • 84381-54-4
    • CS-0147078
    • FT-0618346
    • MDL: MFCD00041094
    • Inchi: 1S/C11H14N2S/c1-3-13(4-2)11-7-5-10(6-8-11)12-9-14/h5-8H,3-4H2,1-2H3
    • InChI Key: PGWXUTHWTCRUAM-UHFFFAOYSA-N
    • SMILES: S=C=NC1C=CC(=CC=1)N(CC)CC
    • BRN: 3268361

Computed Properties

  • Exact Mass: 206.08800
  • Monoisotopic Mass: 206.088
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 199
  • 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: nothing
  • Topological Polar Surface Area: 47.7A^2

Experimental Properties

  • Color/Form: Irritating yellow solid
  • Density: 1.01
  • Melting Point: 27 °C
  • Boiling Point: 148 °C
  • Flash Point: 147-148°C/1.2mm
  • Refractive Index: 1.6685
  • PSA: 47.69000
  • LogP: 3.26710
  • Sensitiveness: Moisture Sensitive
  • Solubility: React with water

4-Diethylaminophenyl isothiocyanate Security Information

  • Hazardous Material transportation number:UN 2811
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: T
  • Risk Phrases:R20/21/22; R36/37/38
  • HazardClass:6.1
  • PackingGroup:II
  • Storage Condition:Keep cold.

4-Diethylaminophenyl isothiocyanate Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. 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:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-Diethylaminophenyl isothiocyanate Pricemore >>

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