2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene

• CAS: 302911-98-4
• Catalog Number: ACM302911984
• Category: Bromine Series
• Molecular Weight: 307.03
• Molecular Formula: C₈H₅Br
• Hazard Statements: H301-H413
• RIDADR: UN 3077 9 / PGIII
• Symbol: GHS06

Custom Q&A

What is the molecular formula of the compound with the PubChem CID 2773199?

The molecular formula is C9H5BrF6.

What is the molecular weight of the compound?

The molecular weight is 307.03 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(bromomethyl)-1,4-bis(trifluoromethyl)benzene.

What is the InChI of the compound?

The InChI is InChI=1S/C9H5BrF6/c10-4-5-3-6(8(11,12)13)1-2-7(5)9(14,15)16/h1-3H,4H2.

What is the InChIKey of the compound?

The InChIKey is CHSQGVCRNVEWIA-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

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

What is the CAS number of the compound?

The CAS number is 302911-98-4.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 4.2.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.

Synthetic Use

Downstream Synthesis Route 1

• 159694-58-3
• 302911-98-4

• 876611-13-1

Reference: [1]Salem, Ola I. A.; Frotscher, Martin; Scherer, Christiane; Neugebauer, Alexander; Biemel, Klaus; Streiber, Martina; Maas, Ruth; Hartmann, Rolf W.
[Journal of Medicinal Chemistry, 2006, vol. 49, # 2, p. 748 - 759]

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