1-Bromo-2-difluoromethylbenzene

• CAS: 845866-82-2
• Catalog Number: ACM845866822
• Category: Aryl
• Molecular Weight: 207.02
• Molecular Formula: C₇H₅BrF₂
• Synonyms: 1-bromo-2-(difluoromethyl)benzene, 845866-82-2, 1-Bromo-2-difluoromethylbenzene, SureCN183025, AC1MC4D5, 2-(difluoromethyl)bromobenzene, CTK5F2725, (2-Bromophenyl)(difluoro)methane, MolPort-000-159-791, Benzene,1-bromo-2-(difluoromethyl)-, AKOS005259017, AG-H-38063, PC01660, KB-87420, KB-218500, C-6109, I01-12769, 1-Bromo-2-(difluoromethyl)benzene;2-Difluoromethylphenyl bromide
• IUPAC Name: 1-bromo-2-(difluoromethyl)benzene
• Canonical SMILES: C1=CC=C(C(=C1)C(F)F)Br
• InChI Key: RMYPQIOCZSWSDG-UHFFFAOYSA-N
• Exact Mass: 205.95400
• Hazard Statements: H225-H315-H319-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• RIDADR: UN 3261 8 / PGII
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 1-Bromo-2-difluoromethylbenzene?

The molecular formula of 1-Bromo-2-difluoromethylbenzene is C7H5BrF2.

What is the molecular weight of 1-Bromo-2-difluoromethylbenzene?

The molecular weight of 1-Bromo-2-difluoromethylbenzene is 207.01 g/mol.

What is the IUPAC name of 1-Bromo-2-difluoromethylbenzene?

The IUPAC name of 1-Bromo-2-difluoromethylbenzene is 1-bromo-2-(difluoromethyl)benzene.

What is the InChI of 1-Bromo-2-difluoromethylbenzene?

The InChI of 1-Bromo-2-difluoromethylbenzene is InChI=1S/C7H5BrF2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H.

What is the InChIKey of 1-Bromo-2-difluoromethylbenzene?

The InChIKey of 1-Bromo-2-difluoromethylbenzene is RMYPQIOCZSWSDG-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-2-difluoromethylbenzene?

The canonical SMILES of 1-Bromo-2-difluoromethylbenzene is C1=CC=C(C(=C1)C(F)F)Br.

What is the CAS number of 1-Bromo-2-difluoromethylbenzene?

The CAS number of 1-Bromo-2-difluoromethylbenzene is 845866-82-2.

What is the EC number of 1-Bromo-2-difluoromethylbenzene?

The EC number of 1-Bromo-2-difluoromethylbenzene is 641-168-0.

What is the DSSTox Substance ID of 1-Bromo-2-difluoromethylbenzene?

The DSSTox Substance ID of 1-Bromo-2-difluoromethylbenzene is DTXSID80375607.

Is 1-Bromo-2-difluoromethylbenzene a canonicalized compound?

Yes, 1-Bromo-2-difluoromethylbenzene is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 6630-33-7

• 845866-82-2

Reference: [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2010/37127, 2010, A1
Location in patent: Page/Page column 104

Downstream Synthesis Route 1

• 845866-82-2
• 61676-62-8

• 879275-72-6

Reference: [1] Patent: US2008/167305, 2008, A1, . Location in patent: Page/Page column 56

Downstream Synthesis Route 2

• 845866-82-2
• 73183-34-3

• 879275-72-6

Reference: [1] Patent: WO2017/87837, 2017, A1, . Location in patent: Paragraph 00245; 00248

Downstream Synthesis Route 3

• 845866-82-2
• 61676-62-8

• 879275-72-6

Reference: [1]Patent: US2008/167305,2008,A1 .Location in patent: Page/Page column 56

Downstream Synthesis Route 4

• 845866-82-2
• 73183-34-3

• 879275-72-6

Reference: [1]Patent: WO2017/87837,2017,A1 .Location in patent: Paragraph 00245; 00248

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