5-Isothiocyanatobenzo[d][1,3]dioxole

Catalog No. :
ACJMKQ529
CAS No. :
113504-93-1
Molecular Formula :
C8H5NO2S
Molecular Weight :
179.20

IUPAC Name:5-isothiocyanatobenzo[d][1,3]dioxole

5-Isothiocyanatobenzo[d][1,3]dioxole structure diagram
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Product Information

Product Name5-Isothiocyanatobenzo[d][1,3]dioxole
IUPAC Name5-isothiocyanatobenzo[d][1,3]dioxole
MDL No.MFCD00066321
Molecular FormulaC8H5NO2S
Molecular Weight179.20
SMILESS=C=NC1=CC=C(OCO2)C2=C1
InChI KeyUVVSPZKAEJHDCY-UHFFFAOYSA-N
Synonym113504-93-1 | 3,4-Methylenedioxyphenyl isothiocyanate | 5-Isothiocyanato-1,3-benzodioxole | 1,3-benzodioxol-5-yl isothiocyanate | 1,3-Benzodioxole, 5-isothiocyanato- | 5-Isothiocyanatobenzo[d][1,3]dioxole | 5-isothiocyanato-benzo[1,3]dioxole | MFCD00066321 | 1,3-Benzodio
CAS No.113504-93-1
PubChem CID123593

Safety Data

Pictogram
CorrosiveToxicHarmful or irritant
Signal Word
Gefahr
Hazard Statement(s)
H314-H315-H331-H335
Precautionary Statement(s)
P233-P260-P261-P264-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P310-P311-P312-P321-P332+P313-P340-P362-P363-P403-P403+P233-P405-P501

Synthetic Route by SureRoute

1. ACJMKQ529 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACYCPW248 route compound structure diagram
    ACYCPW2482620-45-3
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACJMKQ529 route product structure diagram
    ACJMKQ529113504-93-1
Inquiry

2. ACJMKQ529 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACYCPW248 route compound structure diagram
    ACYCPW2482620-45-3
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACJMKQ529 route product structure diagram
    ACJMKQ529113504-93-1
Inquiry

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