4-(Trifluoroacetyl)benzoic acid

• CAS: 58808-59-6
• Catalog Number: ACM58808596
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 218.13
• Molecular Formula: C₉H₄ClF₃O₂
• Synonyms: 4-(Trifluoroacetyl)benzoic acid, AIDS209107, AIDS-209107, CID143579, TL00430, 4-(2,2,2-Trifluoro-acetyl)-benzoic acid, 58808-59-6, InChI=1/C9H5F3O3/c10-9(11,12)7(13)5-1-3-6(4-2-5)8(14)15/h1-4H,(H,14,15
• IUPAC Name: 4-(2,2,2-trifluoroacetyl)benzoic acid
• Canonical SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)C(=O)O
• InChI Key: WLTZCRCZDLLXQP-UHFFFAOYSA-N
• Boiling Point: 313.5ºC at 760 mmHg
• Melting Point: 177-179ºC
• Flash Point: 143.4ºC
• Density: 1.455 g/cm³
• Appearance: white powder
• Exact Mass: 218.01900
• Hazard Statements: H301
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: S26-S36
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 4-(Trifluoroacetyl)benzoic acid?

The molecular formula of 4-(Trifluoroacetyl)benzoic acid is C9H5F3O3.

What is the molecular weight of 4-(Trifluoroacetyl)benzoic acid?

The molecular weight of 4-(Trifluoroacetyl)benzoic acid is 218.13 g/mol.

What is the IUPAC name of 4-(Trifluoroacetyl)benzoic acid?

The IUPAC name of 4-(Trifluoroacetyl)benzoic acid is 4-(2,2,2-trifluoroacetyl)benzoic acid.

What is the InChIKey of 4-(Trifluoroacetyl)benzoic acid?

The InChIKey of 4-(Trifluoroacetyl)benzoic acid is WLTZCRCZDLLXQP-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-(Trifluoroacetyl)benzoic acid have?

4-(Trifluoroacetyl)benzoic acid has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 4-(Trifluoroacetyl)benzoic acid have?

4-(Trifluoroacetyl)benzoic acid has 6 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-(Trifluoroacetyl)benzoic acid?

The topological polar surface area of 4-(Trifluoroacetyl)benzoic acid is 54.4 Ų.

How many rotatable bond counts does 4-(Trifluoroacetyl)benzoic acid have?

4-(Trifluoroacetyl)benzoic acid has 2 rotatable bond counts.

Is the compound canonicalized for 4-(Trifluoroacetyl)benzoic acid?

Yes, the compound is canonicalized for 4-(Trifluoroacetyl)benzoic acid.

What is the CAS number for 4-(Trifluoroacetyl)benzoic acid?

The CAS number for 4-(Trifluoroacetyl)benzoic acid is 58808-59-6.