2,3,4-Trifluorophenyl isocyanate

• CAS: 190774-58-4
• Catalog Number: ACM190774584
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 173.09
• Molecular Formula: C₇H₂BrClF₂O
• Synonyms: 472239_ALDRICH, 2,3,4-Trifluorophenyl isocyanate, ZINC00152315, AC31950, CID2733393, 190774-58-4
• IUPAC Name: 1,2,3-trifluoro-4-isocyanatobenzene
• Canonical SMILES: C1=CC(=C(C(=C1N=C=O)F)F)F
• InChI Key: LSKOUPSEWMJCEP-UHFFFAOYSA-N
• Boiling Point: 43ºC4.5 mm Hg(lit.)
• Density: 1.432 g/mL at 25ºC(lit.)
• Appearance: clear colorless liquid
• Exact Mass: 173.00900
• Hazard Statements: H302-H315-H319-H335
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Safety Description: S26
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2,3,4-Trifluorophenyl isocyanate?

The molecular formula is C7H2F3NO.

What is the molecular weight of 2,3,4-Trifluorophenyl isocyanate?

The molecular weight is 173.09 g/mol.

What is the IUPAC name of 2,3,4-Trifluorophenyl isocyanate?

The IUPAC name is 1,2,3-trifluoro-4-isocyanatobenzene.

What is the InChI of 2,3,4-Trifluorophenyl isocyanate?

The InChI is InChI=1S/C7H2F3NO/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H.

What is the InChIKey of 2,3,4-Trifluorophenyl isocyanate?

The InChIKey is LSKOUPSEWMJCEP-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2,3,4-Trifluorophenyl isocyanate have?

It has 0 hydrogen bond donor counts.

What is the topological polar surface area of 2,3,4-Trifluorophenyl isocyanate?

The topological polar surface area is 29.4 Ų.

Is 2,3,4-Trifluorophenyl isocyanate a canonicalized compound?

Yes, it is canonicalized.

When was 2,3,4-Trifluorophenyl isocyanate created and modified in PubChem?

It was created on 2005-07-19 and modified on 2023-12-23.

What are some synonyms for 2,3,4-Trifluorophenyl isocyanate?

Some synonyms include 1,2,3-trifluoro-4-isocyanatobenzene and 2,3,4-TRIFLUOROPHENylisoCYANATE.