Cas no 19241-20-4 (3-Ethylphenyl isothiocyanate)

3-Ethylphenyl isothiocyanate structure
3-Ethylphenyl isothiocyanate structure
Product Name:3-Ethylphenyl isothiocyanate
CAS No:19241-20-4
MF:C9H9NS
MW:163.239460706711
MDL:MFCD00041084
CID:139999
PubChem ID:140502
Update Time:2025-09-21

3-Ethylphenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-ethyl-3-isothiocyanato-
    • 1-ethyl-3-isothiocyanatobenzene
    • 3-ethylphenyl isothiocyanate
    • 1-ethyl-3-isothiocyanato-benzene
    • 3-Ethylphenylisothiocyanat
    • 3-phenylethyl isothiocyanate
    • Benzene,1-ethyl-3-isothiocyanato
    • m-Ethylphenyl-isothiocyanat
    • A813570
    • AKOS000212194
    • EN300-15000
    • FT-0637816
    • 19241-20-4
    • MFCD00041084
    • SY063267
    • SCHEMBL1435119
    • DTXSID70172829
    • 3-ethylphenylisothiocyanate
    • Benzene, 1-ethyl-3-isothiocyanato-
    • 1-Ethyl-3-isothiocyanatobenzene #
    • 3-Ethylphenyl isothiocyate, 98%
    • 3-ETHYLPHENYL ISOTHIOCYANATE 98%
    • 3-Ethylphenyl isothiocyanate
    • MDL: MFCD00041084
    • Inchi: 1S/C9H9NS/c1-2-8-4-3-5-9(6-8)10-7-11/h3-6H,2H2,1H3
    • InChI Key: FRMFJQIVPNSSPX-UHFFFAOYSA-N
    • SMILES: S=C=NC1=CC=CC(=C1)CC

Computed Properties

  • Exact Mass: 163.04600
  • Monoisotopic Mass: 163.04557
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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: 4.2
  • Topological Polar Surface Area: 44.4

Experimental Properties

  • Density: 1.07
  • Boiling Point: 116 °C
  • Flash Point: 116.8°C
  • Refractive Index: 1.417
  • PSA: 44.45000
  • LogP: 2.98330

3-Ethylphenyl isothiocyanate Security Information

  • Hazardous Material transportation number:UN 2810
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: T
  • HazardClass:KEEP COLD, LACHRYMATOR, TOXIC
  • Risk Phrases:R20/21/22
  • Storage Condition:Keep cold.

3-Ethylphenyl 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%

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