3-Bromo-1,1,1-trifluoro-2-propanol

• CAS: 431-34-5
• Catalog Number: ACM431345
• Category: Bromine Series
• Molecular Weight: 192.96
• Molecular Formula: C₃H₄BrF₃O
• Synonyms: NSC3631, 476722_ALDRICH, CID220632, 3-Bromo-1,1,1-trifluoro-2-propanol, InChI=1/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H, 431-34-5
• IUPAC Name: 3-bromo-1,1,1-trifluoropropan-2-ol
• Canonical SMILES: C(C(C(F)(F)F)O)Br
• InChI Key: VBHIIZIQRDVGDH-UHFFFAOYSA-N
• Boiling Point: 124.5ºC(743 torr)
• Flash Point: 47.5ºC
• Density: 1.828g/cm³
• Appearance: Colorless to yellow clear liquid
• Exact Mass: 191.94000
• Hazard Statements: H301 + H311 + H331-H314
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: UN 3265 8 / PGII
• Safety Description: 26-36
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C3H4BrF3O.

What is the molecular weight of the compound?

The molecular weight of the compound is 192.96 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-bromo-1,1,1-trifluoropropan-2-ol.

What is the InChIKey of the compound?

The InChIKey of the compound is VBHIIZIQRDVGDH-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C(C(C(F)(F)F)O)Br.

What is the CAS number of the compound?

The CAS number of the compound is 431-34-5.

What is the EC number of the compound?

The EC number of the compound is 627-603-7.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.5.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 20.2 Ų.