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Structure

1,4-Benzodioxin,2,3-dihydro-6-isothiocyanato-

CAS
141492-50-4
Catalog Number
ACM141492504
Category
Other Products
Molecular Weight
193.22
Molecular Formula
C9H7NO2S

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Specification

Synonyms
ZINC04277236, ALBB-003091, STK502589, CID2776173, 6-isothiocyanato-2,3-dihydro-1,4-benzodioxine, T5522509, 141492-50-4
IUPAC Name
7-isothiocyanato-2,3-dihydro-1,4-benzodioxine
Canonical SMILES
C1COC2=C(O1)C=CC(=C2)N=C=S
InChI Key
KALNNFRLHRAJNK-UHFFFAOYSA-N
Boiling Point
329.2ºC at 760mmHg
Melting Point
62-64ºC
Flash Point
152.9ºC
Density
1.31g/cm³
Exact Mass
193.02000
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
26-36/37/39-45
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