6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline

• CAS: 123637-51-4
• Catalog Number: ACM123637514
• Category: Bromine Series
• Molecular Weight: 324.52
• Molecular Formula: C₁₁H₆BrClF₃N
• Synonyms: 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline, 123637-51-4, ST51041431, Quinoline,6-(bromomethyl)-4-chloro-2-(trifluoromethyl)-, ZINC00161348, PubChem6004, AC1MC5DR, ACMC-1BZC1, SureCN485686, CTK4B3579, MolPort-000-144-747, AKOS015836035, AG-D-50777, RP06971, AK-56462, KB-44990, FT-0620808, Y7288, 6-Bromomethyl-4-chloro-2-trifluoromethylquinoline, A805129
• IUPAC Name: 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline
• Canonical SMILES: C1=CC2=C(C=C1CBr)C(=CC(=N2)C(F)(F)F)Cl
• InChI Key: SJBKLFYWXYFAGT-UHFFFAOYSA-N
• Boiling Point: 318.1ºC at 760 mmHg
• Melting Point: 119ºC
• Flash Point: 146.2ºC
• Density: 1.692g/cm³
• Exact Mass: 322.93200
• Hazard Statements: Xi,C
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Safety Description: S26-S36-S45-S36-S37-S39

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C11H6BrClF3N.

What is the molecular weight of the compound?

The molecular weight of the compound is 324.52 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H6BrClF3N/c12-5-6-1-2-9-7(3-6)8(13)4-10(17-9)11(14,15)16/h1-4H,5H2.

What is the InChIKey of the compound?

The InChIKey of the compound is SJBKLFYWXYFAGT-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC2=C(C=C1CBr)C(=CC(=N2)C(F)(F)F)Cl.

What is the CAS number of the compound?

The CAS number of the compound is 123637-51-4.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 670-914-8.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID70371294.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 12.9Ų.