3-Bromo-4-chlorobenzotrifluoride

• CAS: 454-78-4
• Catalog Number: ACM454784
• Category: Bromine Series
• Molecular Weight: 259.45
• Molecular Formula: C₉H₁₂O
• Synonyms: 3-Bromo-4-chlorobenzotrifluoride, 365750_ALDRICH, NSC59728, CID67988, EINECS 207-226-0, 2-Bromo-1-chloro-4-(trifluoromethyl)benzene, ST5406127, Benzene, 2-bromo-1-chloro-4-(trifluoromethyl)-, 3-Bromo-4-chloro-alpha,alpha,alpha-trifluorotoluene, 454-78-4
• IUPAC Name: 2-bromo-1-chloro-4-(trifluoromethyl)benzene
• InChI Key: APSISOSWYXCEQX-UHFFFAOYSA-N
• Boiling Point: 188-190ºC
• Melting Point: -1ºC
• Flash Point: 94ºC
• Density: 1.745
• Appearance: CLEAR VERY SLIGHTLY YELLOW LIQUID
• Exact Mass: 257.90600
• Hazard Statements: H302-H319
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: UN 2810 6.1 / PGIII
• Safety Description: S26-S36/39
• Stability: Stable at room temperature in closed containers under normal storage and handling conditions.
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Bromo-4-chlorobenzotrifluoride?

The molecular formula is C7H3BrClF3.

What is the molecular weight of 3-Bromo-4-chlorobenzotrifluoride?

The molecular weight is 259.45 g/mol.

What is the IUPAC name of 3-Bromo-4-chlorobenzotrifluoride?

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

What is the InChI of 3-Bromo-4-chlorobenzotrifluoride?

The InChI is InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H.

What is the InChIKey of 3-Bromo-4-chlorobenzotrifluoride?

The InChIKey is APSISOSWYXCEQX-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-4-chlorobenzotrifluoride?

The canonical SMILES is C1=CC(=C(C=C1C(F)(F)F)Br)Cl.

What is the CAS number of 3-Bromo-4-chlorobenzotrifluoride?

The CAS number is 454-78-4.

What is the EC number of 3-Bromo-4-chlorobenzotrifluoride?

The EC number is 207-226-0.

What is the DSSTox Substance ID of 3-Bromo-4-chlorobenzotrifluoride?

The DSSTox Substance ID is DTXSID80196495.

Is 3-Bromo-4-chlorobenzotrifluoride a canonicalized compound?

Yes, 3-Bromo-4-chlorobenzotrifluoride is a canonicalized compound.