2,3,4-Trifluorotoluene

• Catalog Number: ACM193533925
• Product Name: 2,3,4-Trifluorotoluene
• CAS: 193533-92-5
• Category: Aryl
• Synonyms: 1,2,3-Trifluoro-4-Methylbenzene
• IUPAC Name: 1,2,3-trifluoro-4-methylbenzene
• Molecular Weight: 146.11
• Molecular Formula: C7H5F3
• Canonical SMILES: CC1=C(C(=C(C=C1)F)F)F
• InChI: InChI=1S/C7H5F3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3
• InChI Key: LRQPEHJWTXCLQY-UHFFFAOYSA-N
• Boiling Point: 126-127 ºC (lit.)
• Density: 1.222 g/ml
• Hazard Statements: H314
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS05

Custom Q&A

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

The molecular formula of 2,3,4-Trifluorotoluene is C7H5F3.

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

The molecular weight of 2,3,4-Trifluorotoluene is 146.11 g/mol.

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

The IUPAC name of 2,3,4-Trifluorotoluene is 1,2,3-trifluoro-4-methylbenzene.

What is the InChI of 2,3,4-Trifluorotoluene?

The InChI of 2,3,4-Trifluorotoluene is InChI=1S/C7H5F3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3.

What is the InChIKey of 2,3,4-Trifluorotoluene?

The InChIKey of 2,3,4-Trifluorotoluene is LRQPEHJWTXCLQY-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,3,4-Trifluorotoluene?

The Canonical SMILES of 2,3,4-Trifluorotoluene is CC1=C(C(=C(C=C1)F)F)F.

What is the CAS number of 2,3,4-Trifluorotoluene?

The CAS number of 2,3,4-Trifluorotoluene is 193533-92-5.

What is the European Community (EC) number of 2,3,4-Trifluorotoluene?

The European Community (EC) number of 2,3,4-Trifluorotoluene is 624-243-2.

What is the DSSTox Substance ID of 2,3,4-Trifluorotoluene?

The DSSTox Substance ID of 2,3,4-Trifluorotoluene is DTXSID6049436.

What is the molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and compound canonicalization of 2,3,4-Trifluorotoluene?

The molecular weight is 146.11 g/mol.
The XLogP3-AA is 2.6.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 3.
The rotatable bond count is 0.
The exact mass is 146.03433465 g/mol.
The monoisotopic mass is 146.03433465 g/mol.
The topological polar surface area is 0Ų.
The heavy atom count is 10.
The formal charge is 0.
The complexity is 115.
The isotope atom count is 0.
The defined atom stereocenter count is 0.
The undefined atom stereocenter count is 0.
The defined bond stereocenter count is 0.
The undefined bond stereocenter count is 0.
The covalently-bonded unit count is 1.
The compound is canonicalized.