1,1,3-Tribromoacetone CAS 3475-39-6

Introduction：Basic information about 1,1,3-Tribromoacetone CAS 3475-39-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

1,1,3-Tribromoacetone Basic information

• Product Name: 1,1,3-Tribromoacetone
• Synonyms: 1,1,3-TribromoAceton;2-Propanone,1,1,3-tribromo-;1,1,3-tribromoacetone;1,1,3-Tribromopropan-2-one;JACS-3475-39-6;TIANFU-CHEM--1,1,3-Tribromoacetone;1,1,3-Tribromo-2-propanone;1,1,3-Tribromoacetone - [T94027]
• CAS: 3475-39-6
• MF: C3H3Br3O
• MW: 294.77
• Mol File: 3475-39-6.mol

1,1,3-Tribromoacetone Chemical Properties

• Melting point: 28-29 °C
• Boiling point: 114-116 °C(Press: 14 Torr)
• density: 2.561±0.06 g/cm3(Predicted)
• storage temp.: Store at -20°C
• solubility: DMSO : 100 mg/mL (339.25 mM; Need ultrasonic)
• form: Liquid
• color: Colorless to light yellow
• InChI: InChI=1S/C3H3Br3O/c4-1-2(7)3(5)6/h3H,1H2
• InChIKey: FNYCCOFOQIUTIM-UHFFFAOYSA-N
• SMILES: C(Br)(Br)C(=O)CBr

1,1,3-Tribromoacetone Usage And Synthesis

Chemical Properties

White or light yellow solid

Uses

1,1,3-Tribromoacetone is an impurity of Methotrexate (HY-14519). Methotrexate, an antimetabolite and antifolate agent, inhibits the enzyme dihydrofolate reductase, thereby preventing the conversion of folic acid into tetrahydrofolate, and inhibiting DNA synthesis.

Synthesis

150 g of bromine dissolved in 500 ml of glacial acetic acid are added dropwise to a solution containing 210 g of 1,3-dibromoacetone in 500 ml glacial acetic acid at 80-90° C during one hour without additional heating. When the reaction is complete the acetic acid is removed and a forerun in a vacuum afford 180 g of 1,1,3-tribromoacetone (b.p. 114-116/14 mm), and 21 g of 1,1,1,3-tetrabromoacetone (b.p. 132-133°/13 mm).