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. It is classified under GHS with signal word Danger and hazard statements H314 — Causes severe skin burns and eye damage. 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
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Boiling Point | 230-244ºC(lit.) |
|---|---|
| Density | 1.37 g/mL at 25ºC(lit.) |
| Flash Point | 230 °F |
| Exact Mass | 234.97400 |
| PSA | 69.75000 |
| LogP | 4.03280 |
| Refractive Index | n20/D 1.586(lit.) |
GHS Safety & Compliance
- H314 — Causes severe skin burns and eye damage
Customs & Trade Information
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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 and hazard statements H314 — Causes severe skin burns and eye damage.
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 2026-10-28).
Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.