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Retrosynthesis · AI + evidence

3-(Trifluoromethyl)phenyl isothiocyanate (C8H4F3NS)

Looking for routes to 3-(Trifluoromethyl)phenyl isothiocyanate? 3-(Trifluoromethyl)phenyl isothiocyanate presents a C8 framework, aromatic rings, halogen substitution. Use the planner with prefilled SMILES, or copy FC(F)(F)c1cccc(N=C=S)c1 (CAS 1840-19-3).

Target
3-(Trifluoromethyl)phenyl isothiocyanate
CAS
1840-19-3
Formula
C8H4F3NS
Approx. MW
203.18
SMILES
FC(F)(F)c1cccc(N=C=S)c1
PubChem CID
137232
Approx. carbons
C8

3-(Trifluoromethyl)phenyl isothiocyanate structure

Properties

IUPAC name
1-isothiocyanato-3-(trifluoromethyl)benzene
Common names
3-(Trifluoromethyl)phenyl isothiocyanate; 1840-19-3; 1-Isothiocyanato-3-(trifluoromethyl)benzene; GFEPANUKFYVALF-UHFFFAOYSA-; DTXSID90171531; RefChem:433400; DTXCID5094022; 628-756-2; InChI=1/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H; 3-(trifluoromethyl)phenylisothiocyanate
Molecular weight
203.19
Exact mass
203.00
InChIKey
GFEPANUKFYVALF-UHFFFAOYSA-N

View on PubChem

3-(Trifluoromethyl)phenyl isothiocyanate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-(Trifluoromethyl)phenyl isothiocyanate?

3-(Trifluoromethyl)phenyl isothiocyanate has molecular formula C8H4F3NS. Molecular weight about 203.18 g·mol⁻¹.

What is the CAS number of 3-(Trifluoromethyl)phenyl isothiocyanate?

The CAS Registry Number for 3-(Trifluoromethyl)phenyl isothiocyanate is 1840-19-3.

Run AI retrosynthesis for 3-(Trifluoromethyl)phenyl isothiocyanate Target catalog AI tools overview

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Related targets

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(1-Bromoethyl)benzene(2-Chloroethoxy)benzene(2-Chloroethyl)benzene(Chloroethynyl)benzene[(2-Chloroethyl)sulfonyl]benzene1-(3-Bromo-4-fluorophenyl)ethanone

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References & tools