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1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene

1-异硫氰酸基-3-[(三氟甲基)硫基]苯

Also known as: 3-(Trifluoromethylthio)phenyl isothiocyanate, 3-TRIFLUOROMETHYLTHIOPHENYL ISOTHIOCYANATE, Benzene, 1-isothiocyanato-3-[(trifluoromethyl)thio]-, MFCD02683531

1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene (CAS 42729-26-0) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C8H4F3NS2 and a molecular weight of 235.24900 g/mol. It is also known as 3-(Trifluoromethylthio)phenyl isothiocyanate, 3-TRIFLUOROMETHYLTHIOPHENYL ISOTHIOCYANATE and Benzene, 1-isothiocyanato-3-[(trifluoromethyl)thio]-. Key properties include a boiling point of 230-244ºC(lit.), a density of 1.37 g/mL at 25ºC(lit.) and a flash point of 230 °F. GHS signal word: Danger. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
42729-26-0
Jingsj CID
J-46472-3
Molecular Formula
C8H4F3NS2
Chinese Name
1-异硫氰酸基-3-[(三氟甲基)硫基]苯
Molecular Weight
235.24900 g/mol
Category
Organic Acids
Last updated
8/21/2026

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Physicochemical Properties

Boiling Point230-244ºC(lit.)
Density1.37 g/mL at 25ºC(lit.)
Flash Point230 °F

GHS Safety & Compliance

CorrosionSignal word: Danger

Frequently Asked Questions

What is the CAS number of 1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene?

The CAS number of 1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene is 42729-26-0.

What are the molecular formula and molecular weight of 1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene?

1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene has molecular formula C8H4F3NS2 and molecular weight 235.24900 g/mol.

Is 1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene hazardous?

1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene has GHS signal word Danger.

Data compiled from public chemical databases and supplier catalogs; supplier offers are provided by suppliers.

Last updated:

How to cite: Jingsj. "1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene (CAS 42729-26-0)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-46472-3 (accessed 2026-10-23).

Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.