3,5-Bis(trifluoromethyl)phenyl isothiocyanate

Also known as: 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene, 3,5-Di(trifluoromethyl)phenyl isothiocyanate, Isothiocyanic Acid 3,5-Bis(trifluoromethyl)phenyl Ester, 3,5-BIS-TRIFLUOROMETHYLPHENYL ISOTHIOCYANATE, Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-, MFCD00040838

3,5-Bis(trifluoromethyl)phenyl isothiocyanate (CAS 23165-29-9) is a compound in the Esters category listed in the Jingsj chemical database. It has the molecular formula C9H3F6NS and a molecular weight of 271.182 g/mol. Key properties include a melting point of 160ºC, a boiling point of 227.5±40.0 °C at 760 mmHg, a density of 1.4±0.1 g/cm3 and a flash point of 91.4±27.3 °C. It is classified under GHS with signal word Danger and hazard statements H301 — Toxic if swallowed, H315 — Causes skin irritation and H319 — Causes serious eye irritation. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 23165-29-9
Jingsj CID: J-45930-1
Molecular Formula: C₉H₃F₆NS
Molecular Weight: 271.182 g/mol
Category: Esters
Last updated: 8/21/2026

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Physicochemical Properties

Melting Point	160ºC
Boiling Point	227.5±40.0 °C at 760 mmHg
Density	1.4±0.1 g/cm3
Flash Point	91.4±27.3 °C
Exact Mass	270.989044
PSA	44.45000
LogP	6.26
Vapor Pressure	0.1±0.4 mmHg at 25°C
Refractive Index	1.459

GHS Safety & Compliance

Acute ToxicitySignal word: Danger

H301 — Toxic if swallowed
H315 — Causes skin irritation
H319 — Causes serious eye irritation
H335 — May cause respiratory irritation

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 3,5-Bis(trifluoromethyl)phenyl isothiocyanate?

The CAS number of 3,5-Bis(trifluoromethyl)phenyl isothiocyanate is 23165-29-9.

What are the molecular formula and molecular weight of 3,5-Bis(trifluoromethyl)phenyl isothiocyanate?

3,5-Bis(trifluoromethyl)phenyl isothiocyanate has molecular formula C9H3F6NS and molecular weight 271.182 g/mol.

Is 3,5-Bis(trifluoromethyl)phenyl isothiocyanate hazardous?

3,5-Bis(trifluoromethyl)phenyl isothiocyanate has GHS signal word Danger and hazard statements H301 — Toxic if swallowed; H315 — Causes skin irritation; H319 — Causes serious eye irritation.

What are the upstream and downstream products of 3,5-Bis(trifluoromethyl)phenyl isothiocyanate?

For 3,5-Bis(trifluoromethyl)phenyl isothiocyanate, Upstream Products: Carbon disulphide, 3,5-Bis(trifluoromethyl)aniline, Thiophosgene; Downstream Products: 4-[3,5-bis(trifluoromethyl)phenyl]-3-thiosemicarbazide, 1-[3,5-Bis(trifluoromethyl)phenyl]thiourea, 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea.

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

Last updated: 8/21/2026

How to cite: Jingsj. "3,5-Bis(trifluoromethyl)phenyl isothiocyanate (CAS 23165-29-9)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-45930-1 (accessed 2026-11-06).

Data for reference only; verify product details with suppliers before purchase.