2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide

• CAS: 76437-40-6
• Catalog Number: ACM76437406
• Category: Aryl
• Molecular Weight: 310.99
• Molecular Formula: C₁₂H₁₇Br
• Synonyms: TTBB, 406406_ALDRICH, MolPort-000-159-153, CID127137, PC5749, 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide, 1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene, Benzene, 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)-, 76437-40-6
• IUPAC Name: 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
• Canonical SMILES: C(C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)Br
• InChI Key: WKPYRDRWTNJBQI-UHFFFAOYSA-N
• Boiling Point: 190ºC at 760 mmHg
• Flash Point: 68.7ºC
• Density: 1.864 g/mL at 25ºC(lit.)
• Appearance: clear, colorless liquid
• Exact Mass: 309.92300
• Hazard Statements: H302-H317-H319-H412
• H-Bond Acceptor: 7
• H-Bond Donor: 0
• Packing Group: III
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36/37/39-45
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide?

The molecular formula is C8H2BrF7.

What is the molecular weight of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide?

The molecular weight is 310.99 g/mol.

What is the IUPAC name of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide?

The IUPAC name is 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.

What is the InChI of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide?

The InChI is InChI=1S/C8H2BrF7/c9-1-2-4(10)6(12)3(8(14,15)16)7(13)5(2)11/h1H2.

What is the Canonical SMILES of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide?

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

What is the CAS number of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide?

The CAS number is 76437-40-6.

What is the European Community (EC) Number of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide?

The European Community (EC) Number is 624-630-6.

What is the XLogP3-AA value of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide?

The XLogP3-AA value is 3.8.

How many hydrogen bond acceptor counts does 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide have?

It has 7 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide?

The topological polar surface area is 0Ų.