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3-(Trifluoromethyl)phenyl isocyanate

Also known as: 1-Isocyanato-3-(trifluoromethyl)benzene, 1-isocyanato-3-(trifluoromethyl)-benzen, 3-Isocyanatobenzotrifluoride, 3-Trifluoromethylphenylcyanate, 3-CF3phenylisocyanate, alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate, Isocyanic acid 3-(trifluoromethyl)phenyl ester, Isocyanobenzotrifluoride, m-trifluoromethylphenyl isocyanate, Sorafenib Impurity 17, α,α,α-Trifluoro-m-tolyl isocyanate, Benzene, 1-isocyanato-3-(trifluoromethyl)-

3-(Trifluoromethyl)phenyl isocyanate (CAS 329-01-1) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C8H4F3NO and a molecular weight of 187.119 g/mol. Key properties include a melting point of -26 °C, a boiling point of 54 ºC (11 mmHg), a density of 1.336 and a flash point of 58 ºC. It is classified under GHS with signal word Danger and hazard statements H226 — Flammable liquid and vapour, H302 — Harmful if swallowed and H315 — Causes skin irritation. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
329-01-1
Jingsj CID
J-995068-9
Molecular Formula
C8H4F3NO
Molecular Weight
187.119 g/mol
Category
Organic Acids
Last updated
8/21/2026
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Physicochemical Properties

Melting Point-26 °C
Boiling Point54 ºC (11 mmHg)
Density1.336
Flash Point58 ºC
Exact Mass187.024506
PSA29.43000
LogP3.95
Vapor Pressure2.0±0.3 mmHg at 25°C
Refractive Index1.467-1.469

GHS Safety & Compliance

Flammable / Acute Toxicity / Health HazardSignal word: Danger
  • H226 — Flammable liquid and vapour
  • H302 — Harmful if swallowed
  • H315 — Causes skin irritation
  • H317 — May cause an allergic skin reaction
  • H330 — Fatal if inhaled
  • H334 — May cause allergy or asthma symptoms if inhaled
  • H335 — May cause respiratory irritation

Customs & Trade Information

HS Code2929109000
Summary2929109000. other isocyanates. 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-(Trifluoromethyl)phenyl isocyanate?

The CAS number of 3-(Trifluoromethyl)phenyl isocyanate is 329-01-1.

What are the molecular formula and molecular weight of 3-(Trifluoromethyl)phenyl isocyanate?

3-(Trifluoromethyl)phenyl isocyanate has molecular formula C8H4F3NO and molecular weight 187.119 g/mol.

Is 3-(Trifluoromethyl)phenyl isocyanate hazardous?

3-(Trifluoromethyl)phenyl isocyanate has GHS signal word Danger and hazard statements H226 — Flammable liquid and vapour; H302 — Harmful if swallowed; H315 — Causes skin irritation.

What are the upstream and downstream products of 3-(Trifluoromethyl)phenyl isocyanate?

For 3-(Trifluoromethyl)phenyl isocyanate, Upstream Products: Bis(trichloromethyl) carbonate, 3-(Trifluoromethyl)aniline, Diphosgene; Downstream Products: N-[4-Chloro-3-(trifluoromethyl)phenyl]-N'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]urea, Fluometuron.

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

Last updated:

How to cite: Jingsj. "3-(Trifluoromethyl)phenyl isocyanate (CAS 329-01-1)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-995068-9 (accessed 2026-11-09).

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