2-Bromo-1-(difluoromethyl)-4-fluorobenzene

• CAS: 845866-81-1
• Catalog Number: ACM845866811
• Category: Aryl
• Molecular Weight: 225.01
• Molecular Formula: C₇H₄BrF₃
• Synonyms: 2-bromo-1-(difluoromethyl)-4-fluorobenzene, 845866-81-1, 2-Bromo-1-difluoromethyl-4-fluorobenzene, ACMC-20ao3f, AC1MC4D2, SureCN1337142, CTK5F2724, MolPort-000-159-790, AKOS005256031, AG-H-38062, KB-168694, KB-228571, FT-0678870, C-6108, A840864, I01-12757, 1-[bis(fluoranyl)methyl]-2-bromanyl-4-fluoranyl-benzene
• IUPAC Name: 2-bromo-1-(difluoromethyl)-4-fluorobenzene
• SMILES: C1=CC(=C(C=C1F)Br)C(F)F
• InChI Key: WAJOYKZVIXCVTR-UHFFFAOYSA-N
• Boiling Point: 194.4ºC at 760 mmHg
• Flash Point: 80ºC
• Density: 1.633g/cm³
• Exact Mass: 223.94500
• Hazard Statements: H302-H319-H413
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• RIDADR: UN 1993C 3 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2-Bromo-1-(difluoromethyl)-4-fluorobenzene?

The molecular formula is C7H4BrF3.

What is the molecular weight of 2-Bromo-1-(difluoromethyl)-4-fluorobenzene?

The molecular weight is 225.01 g/mol.

What is the IUPAC name of 2-Bromo-1-(difluoromethyl)-4-fluorobenzene?

The IUPAC name is 2-bromo-1-(difluoromethyl)-4-fluorobenzene.

What is the InChI of 2-Bromo-1-(difluoromethyl)-4-fluorobenzene?

The InChI is InChI=1S/C7H4BrF3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,7H.

What is the InChIKey of 2-Bromo-1-(difluoromethyl)-4-fluorobenzene?

The InChIKey is WAJOYKZVIXCVTR-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Bromo-1-(difluoromethyl)-4-fluorobenzene?

The canonical SMILES is C1=CC(=C(C=C1F)Br)C(F)F.

What is the CAS number of 2-Bromo-1-(difluoromethyl)-4-fluorobenzene?

The CAS number is 845866-81-1.

What is the European Community (EC) number of 2-Bromo-1-(difluoromethyl)-4-fluorobenzene?

The EC number is 685-087-9.

What is the XLogP3-AA value of 2-Bromo-1-(difluoromethyl)-4-fluorobenzene?

The XLogP3-AA value is 3.3.

Is 2-Bromo-1-(difluoromethyl)-4-fluorobenzene a canonicalized compound?

Yes, 2-Bromo-1-(difluoromethyl)-4-fluorobenzene is canonicalized.

Synthetic Use

Downstream Synthesis Route 1

• 845866-81-1
• 68-12-2

• 1166820-28-5

Reference: [1]Patent: WO2010/92371,2010,A1 .Location in patent: Page/Page column 102

Downstream Synthesis Route 2

• 845866-81-1
• 1402601-93-7

• 1402602-07-6

Reference: [1]ACS Medicinal Chemistry Letters,2013,vol. 4,p. 441 - 445

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