4-(TRIFLUOROMETHYL)PHENETHYL BROMIDE

• CAS: 130365-87-6
• Catalog Number: ACM130365876
• Category: Other Products; Alkyl
• Molecular Weight: 253.06
• Molecular Formula: C9H8BrF3
• Synonyms: 4-(TRIFLUOROMETHYL)PHENETHYL BROMIDE, 130365-87-6, 1-(2-Bromoethyl)-4-(trifluoromethyl)benzene, ACMC-20amtm, SureCN177739, AGN-PC-00333H, CTK8C5905, AKOS012020538, 2-(4-trifluoromethylphenyl)ethyl bromide, AK142073, KB-15130, 2-[4-(Trifluoromethyl)phenyl]ethyl bromide, Benzene, 1-(2-bromoethyl)-4-(trifluoromethyl)-
• IUPAC Name: 1-(2-bromoethyl)-4-(trifluoromethyl)benzene
• Canonical SMILES: C1=CC(=CC=C1CCBr)C(F)(F)F
• InChI Key: WTCVMJLGKMOROW-UHFFFAOYSA-N
• Density: 1.499 g/mL at 25ºC
• Exact Mass: 251.97600
• Hazard Statements: Xn: Harmful;N: Dangerous for the environment
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: UN 3082 9 / PGIII
• Safety Description: S26
• Symbol: GHS08

Custom Q&A

What is the molecular formula of 4-(Trifluoromethyl)phenethyl bromide?

The molecular formula is C9H8BrF3.

What is the molecular weight of 4-(Trifluoromethyl)phenethyl bromide?

The molecular weight is 253.06 g/mol.

What is the IUPAC name of 4-(Trifluoromethyl)phenethyl bromide?

The IUPAC name is 1-(2-bromoethyl)-4-(trifluoromethyl)benzene.

What is the InChI code of 4-(Trifluoromethyl)phenethyl bromide?

The InChI code is InChI=1S/C9H8BrF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H,5-6H2.

What is the InChIKey of 4-(Trifluoromethyl)phenethyl bromide?

The InChIKey is WTCVMJLGKMOROW-UHFFFAOYSA-N.

What is the canonical SMILES representation of 4-(Trifluoromethyl)phenethyl bromide?

The canonical SMILES representation is C1=CC(=CC=C1CCBr)C(F)(F)F.

What is the CAS number of 4-(Trifluoromethyl)phenethyl bromide?

The CAS number is 130365-87-6.

What is the XLogP3-AA value of 4-(Trifluoromethyl)phenethyl bromide?

The XLogP3-AA value is 3.8.

How many hydrogen bond acceptor counts does 4-(Trifluoromethyl)phenethyl bromide have?

It has 3 hydrogen bond acceptor counts.

Is 4-(Trifluoromethyl)phenethyl bromide the canonicalized form?

Yes, it is the canonicalized form.