4-Bromo-2,3,5,6-tetrafluorobenzonitrile

• CAS: 17823-40-4
• Catalog Number: ACM17823404
• Category: Phenols
• Molecular Weight: 253.98
• Molecular Formula: C₁₇H₁₈FNO₃S
• Synonyms: 4-Bromo-2,3,5,6-tetrafluorobenzonitrile, 17823-40-4, AC1LDKHK, ACMC-20amo0, 344052_ALDRICH, CTK4D6714, MolPort-001-772-952, PC2466, SBB101343, ZINC02545354, AKOS015911911, AG-E-28432, AK135700, KB-72119, Benzonitrile,4-bromo-2,3,5,6-tetrafluoro-, FT-0082203, FT-0602078, 4-bromo-2,3,5,6-tetrafluorobenzenecarbonitrile, A812348, I14-37430
• IUPAC Name: 4-bromo-2,3,5,6-tetrafluorobenzonitrile
• SMILES: C(#N)C1=C(C(=C(C(=C1F)F)Br)F)F
• InChI Key: STJZOKCIEOTPDV-UHFFFAOYSA-N
• Boiling Point: 203.7ºC at 760mmHg
• Melting Point: 77-79ºC(lit.)
• Flash Point: 77ºC
• Density: 1.91g/cm³
• Exact Mass: 252.91500
• Hazard Statements: H302
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• RIDADR: UN 2811 6.1 / PGII
• Safety Description: 26-36
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?

The molecular formula is C7BrF4N.

What is the molecular weight of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?

The molecular weight is 253.98 g/mol.

When was 4-Bromo-2,3,5,6-tetrafluorobenzonitrile created?

It was created on March 27, 2005.

What is the IUPAC name of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?

The IUPAC name is 4-bromo-2,3,5,6-tetrafluorobenzonitrile.

What is the InChI of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?

The InChI is InChI=1S/C7BrF4N/c8-3-6(11)4(9)2(1-13)5(10)7(3)12.

What is the InChIKey of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?

The InChIKey is STJZOKCIEOTPDV-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?

The Canonical SMILES is C(#N)C1=C(C(=C(C(=C1F)F)Br)F)F.

What is the CAS number of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?

The CAS number is 17823-40-4.

Is 4-Bromo-2,3,5,6-tetrafluorobenzonitrile canonicalized?

Yes, it is canonicalized according to PubChem.