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Home >> Chemical Listing >> Page 603 >> 2-Isocyanato-2-(Trifluoromethyl)-1,3-Benzoxathiole

2-Isocyanato-2-(Trifluoromethyl)-1,3-Benzoxathiole
[CAS# 159259-21-9]

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Identification
Name 2-Isocyanato-2-(Trifluoromethyl)-1,3-Benzoxathiole
Synonyms 2-isocyanato-2-(trifluoromethyl)benzo[d][1,3]oxathiole
Molecular Structure CAS#: 159259-21-9, 2-Isocyanato-2-(Trifluoromethyl)-1,3-Benzoxathiole
Molecular Formula C9H4F3NO2S
Molecular Weight 247.19
CAS Registry Number 159259-21-9
SMILES c1ccc2c(c1)OC(S2)(C(F)(F)F)N=C=O
InChI 1S/C9H4F3NO2S/c10-8(11,12)9(13-5-14)15-6-3-1-2-4-7(6)16-9/h1-4H
InChIKey CNVYXKIUEJLBNG-UHFFFAOYSA-N
Properties
Density 1.517g/cm3 (Cal.)
Boiling point 278.028°C at 760 mmHg (Cal.)
Flash point 121.948°C (Cal.)
Refractive index 1.56 (Cal.)
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