3-Bromo-2,4,5-trifluorobenzoic acid

• CAS: 104222-42-6
• Catalog Number: ACM104222426
• Category: Bromine Series
• Molecular Weight: 254.99
• Molecular Formula: C₇H₂BrF₃O₂
• Synonyms: Jsp000426, MolPort-001-772-620, 3-Bromo-2,4,5-trifluorobenzoic acid, 2,4,5-Trifluoro-3-bromobenzoic acid, CID2783246, 3-bromo-2,4,5-trifluoro-benzoic Acid, AC-18422, B148, I01-5249, 104222-42-6
• IUPAC Name: 3-bromo-2,4,5-trifluorobenzoic acid
• Canonical SMILES: C1=C(C(=C(C(=C1F)F)Br)F)C(=O)O
• InChI Key: VWVLSESGZBAPHA-UHFFFAOYSA-N
• Boiling Point: 285.888ºC at 760 mmHg
• Flash Point: 126.701ºC
• Density: 1.95 g/cm³
• Exact Mass: 253.91900
• H-Bond Acceptor: 5
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 3-Bromo-2,4,5-trifluorobenzoic acid?

The molecular formula of 3-Bromo-2,4,5-trifluorobenzoic acid is C7H2BrF3O2.

What is the molecular weight of 3-Bromo-2,4,5-trifluorobenzoic acid?

The molecular weight of 3-Bromo-2,4,5-trifluorobenzoic acid is 254.99 g/mol.

When was 3-Bromo-2,4,5-trifluorobenzoic acid created in PubChem?

3-Bromo-2,4,5-trifluorobenzoic acid was created in PubChem on July 19, 2005.

What is the IUPAC name of 3-Bromo-2,4,5-trifluorobenzoic acid?

The IUPAC name of 3-Bromo-2,4,5-trifluorobenzoic acid is 3-bromo-2,4,5-trifluorobenzoic acid.

What is the InChI of 3-Bromo-2,4,5-trifluorobenzoic acid?

The InChI of 3-Bromo-2,4,5-trifluorobenzoic acid is InChI=1S/C7H2BrF3O2/c8-4-5(10)2(7(12)13)1-3(9)6(4)11/h1H,(H,12,13).

What is the InChIKey of 3-Bromo-2,4,5-trifluorobenzoic acid?

The InChIKey of 3-Bromo-2,4,5-trifluorobenzoic acid is VWVLSESGZBAPHA-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Bromo-2,4,5-trifluorobenzoic acid?

The Canonical SMILES of 3-Bromo-2,4,5-trifluorobenzoic acid is C1=C(C(=C(C(=C1F)F)Br)F)C(=O)O.

What is the CAS number of 3-Bromo-2,4,5-trifluorobenzoic acid?

The CAS number of 3-Bromo-2,4,5-trifluorobenzoic acid is 104222-42-6.

What is the molecular weight of 3-Bromo-2,4,5-trifluorobenzoic acid computed by PubChem?

The molecular weight of 3-Bromo-2,4,5-trifluorobenzoic acid computed by PubChem is 254.99 g/mol.

What is the XLogP3-AA value of 3-Bromo-2,4,5-trifluorobenzoic acid?

The XLogP3-AA value of 3-Bromo-2,4,5-trifluorobenzoic acid is 2.4.

Synthetic Use

Upstream Synthesis Route 1

• 182937-75-3

• 104222-42-6

Reference: [1]Renau, Thomas E.; Sanchez, Joseph P.; Domagala, John M.
[Journal of Heterocyclic Chemistry, 1996, vol. 33, # 4, p. 1407 - 1411]

Upstream Synthesis Route 2

• 125290-72-4

• 104222-42-6

Reference: [1]Renau, Thomas E.; Sanchez, Joseph P.; Domagala, John M.
[Journal of Heterocyclic Chemistry, 1996, vol. 33, # 4, p. 1407 - 1411]

Downstream Synthesis Route 1

• 104222-42-6

• 104222-44-8

Reference: [1]Renau, Thomas E.; Sanchez, Joseph P.; Domagala, John M.
[Journal of Heterocyclic Chemistry, 1996, vol. 33, # 4, p. 1407 - 1411]
[2]Current Patent Assignee: KYORIN HOLDINGS, INC. - US4826982, 1989, A

* For details of the synthesis route, please refer to the original source to ensure accuracy.