Cas no 3460-49-9 (4-Ethoxyphenyl isothiocyanate)

4-Ethoxyphenyl isothiocyanate is a versatile organic compound characterized by the presence of an ethoxy group and an isothiocyanate functional group. Its molecular structure makes it valuable in synthetic chemistry, particularly as a building block for the preparation of thiourea derivatives and other heterocyclic compounds. The compound exhibits reactivity typical of isothiocyanates, enabling efficient nucleophilic addition reactions with amines and other nucleophiles. Its ethoxy substituent enhances solubility in organic solvents, facilitating its use in various reaction conditions. This compound is commonly employed in pharmaceutical and agrochemical research for the development of bioactive molecules. Proper handling is required due to its potential lachrymatory and irritant properties.
4-Ethoxyphenyl isothiocyanate structure
4-Ethoxyphenyl isothiocyanate structure
Product Name:4-Ethoxyphenyl isothiocyanate
CAS No:3460-49-9
MF:C9H9NOS
MW:179.238860845566
MDL:MFCD00041096
CID:84755
PubChem ID:77006
Update Time:2025-10-19

4-Ethoxyphenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • 4-Isothiocyanatophenetol
    • 4-Ethoxyphenyl isothiocyanate
    • 1-ethoxy-4-isothiocyanatobenzene
    • 1-Ethoxy-4-isothiocyanato-benzene
    • p-Ethoxyphenyl Isothiocyanate
    • 4-ethoxybenzenisothiocyanate
    • Benzene,1-ethoxy-4-isothiocyanato
    • EINECS 222-410-0
    • SY061716
    • SCHEMBL631317
    • 1-isothiocyanato-4-ethoxybenzene
    • E79198
    • FT-0618855
    • Ethyl 4-isothiocyanatophenyl ether
    • NSC-108217
    • HMS1786H11
    • NSC108217
    • 3460-49-9
    • 4-Isothiocyanatophenetole
    • DTXSID00188175
    • F2121-0326
    • AKOS000212245
    • NS00029695
    • J-802136
    • NSC 108217
    • 4-ISOQUINOLINECARBOXYLICACID,ETHYLESTER
    • Benzene, 1-ethoxy-4-isothiocyanato-
    • EN300-16935
    • InChI=1/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H
    • p-ethoxyphenylisothiocyanate
    • MFCD00041096
    • 4-ETHOXYPHENylisoTHIOCYANATE
    • PS-10282
    • Phenylisothiocyanate, 4-ethoxy
    • 1-Ethoxy-4-isothiocyanatobenzene #
    • DB-048663
    • STK315328
    • MDL： MFCD00041096
    • Inchi： 1S/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H3
    • InChI Key： REEKOMRZYJXXNR-UHFFFAOYSA-N
    • SMILES： S=C=NC1C=CC(=CC=1)OCC
    • BRN： 637526

Computed Properties

  • Exact Mass: 179.04000
  • Monoisotopic Mass: 179.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 169
  • 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: 53.7A^2

Experimental Properties

  • Color/Form: White pungent odor solid
  • Density: 1.1784 (rough estimate)
  • Melting Point: 60-61°C
  • Boiling Point: 288.7°Cat760mmHg
  • Flash Point: >110°C
  • Refractive Index: 1.5270 (estimate)
  • PSA: 53.68000
  • LogP: 2.81960
  • Solubility: Not determined
  • Sensitiveness: Moisture Sensitive/Lachrymatory

4-Ethoxyphenyl isothiocyanate Security Information

4-Ethoxyphenyl 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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4-Ethoxyphenyl isothiocyanate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:3460-49-9)4-Ethoxyphenyl isothiocyanate
Order Number:A1202027
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:46
Price ($):171.0

4-Ethoxyphenyl isothiocyanate Related Literature

3460-49-9 (4-Ethoxyphenyl isothiocyanate) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:3460-49-9)4-Ethoxyphenyl isothiocyanate
A1202027
Purity:99%
Quantity:25g
Price ($):171.0
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