9-(2-Carboxy-4-isothiocyanatophenyl)-3,6-bis(diethylamino)xanthylium chloride

Catalog No. :
ACHVCL586
CAS No. :
14696-19-6
Molecular Formula :
C29H30ClN3O3S
Molecular Weight :
536.10

IUPAC Name:N-(9-(2-carboxy-4-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride

9-(2-Carboxy-4-isothiocyanatophenyl)-3,6-bis(diethylamino)xanthylium chloride structure diagram
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Product Information

Product Name9-(2-Carboxy-4-isothiocyanatophenyl)-3,6-bis(diethylamino)xanthylium chloride
IUPAC NameN-(9-(2-carboxy-4-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium chloride
MDL No.MFCD00136007
Molecular FormulaC29H30ClN3O3S
Molecular Weight536.10
SMILESCCN(C1=CC2=[O+]C3=C(C=CC(N(CC)CC)=C3)C(C4=CC=C(N=C=S)C=C4C(O)=O)=C2C=C1)CC.[Cl-]
InChI KeyYVSWPCCVTYEEHG-UHFFFAOYSA-N
Synonym[9-(2-carboxy-4-isothiocyanatophenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium:chloride
CAS No.14696-19-6

Safety Data

Pictogram
Harmful or irritantHealth hazard
Signal Word
Gefahr
Hazard Statement(s)
H302-H312-H315-H319-H332-H334-H335
Precautionary Statement(s)
P261-P264-P270-P271-P280-P284-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P342+P311-P403+P233-P405-P501

Synthetic Route by SureRoute

1. ACHVCL586 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACHVCL586 route product structure diagram
    ACHVCL58614696-19-6
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2. ACHVCL586 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACHVCL586 route product structure diagram
    ACHVCL58614696-19-6
Inquiry

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