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Home >> Chemical Listing >> Page 421 >> 1-Isothiocyanato-2-Nitro-4-(Trifluoromethyl)Benzene

1-Isothiocyanato-2-Nitro-4-(Trifluoromethyl)Benzene
[CAS# 137935-40-1]

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Identification
Name 1-Isothiocyanato-2-Nitro-4-(Trifluoromethyl)Benzene
Synonyms 1-isothiocyanato-2-nitro-4-(trifluoromethyl)benzene; 2-Nitro-3,4-difluoro bromobenzene
Molecular Structure CAS#: 137935-40-1, 1-Isothiocyanato-2-Nitro-4-(Trifluoromethyl)Benzene
Molecular Formula C8H3F3N2O2S
Molecular Weight 248.18
CAS Registry Number 137935-40-1
SMILES c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])N=C=S
InChI 1S/C8H3F3N2O2S/c9-8(10,11)5-1-2-6(12-4-16)7(3-5)13(14)15/h1-3H
InChIKey PHBSFRFRTKISOH-UHFFFAOYSA-N
Properties
Density 1.497g/cm3 (Cal.)
Boiling point 307.329°C at 760 mmHg (Cal.)
Flash point 139.668°C (Cal.)
Refractive index 1.553 (Cal.)
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