2-[(2-bromo-2-methylpropanoyl)oxy]ethyl 2-methylprop-2-enoate

• ChemBase ID: 144470
• Molecular Formular: C10H15BrO4
• Molecular Mass: 279.1277
• Monoisotopic Mass: 278.01537096
• SMILES: CC(=C)C(=O)OCCOC(=O)C(C)(C)Br
• Canonical SMILES: CC(=C)C(=O)OCCOC(=O)C(Br)(C)C
• InChI: InChI=1S/C10H15BrO4/c1-7(2)8(12)14-5-6-15-9(13)10(3,4)11/h1,5-6H2,2-4H3
• InChIKey: QXDYJUSFCUKOQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-bromo-2-methylpropanoyl)oxy]ethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-[(2-bromo-2-methylpropanoyl)oxy]ethyl 2-methylprop-2-enoate
• Synonyms: BIEM; 2-Methacryloxyethyl 2′-bromoisobutyrate; 2-Methylacrylic acid 2-(2-bromo-2-methylpropionyloxy) ethyl ester; 2-(2-Bromoisobutyryloxy)ethyl methacrylate; 2-甲基丙烯酸-2-（2-溴-2-甲基丙氧基）乙酯; 2-甲基丙烯酸乙氧基-2'-溴代异丁酸酯; 2-（2-溴异丁氧基）甲基丙烯酸乙酯

Database IDs

• CAS Number: 213453-08-8
• MDL Number: MFCD18785732
• PubChem SID: 162238685
• PubChem CID: 21216988

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7831178
• LogD (pH = 7.4): 2.7831178
• Log P: 2.7831178
• Molar Refractivity: 58.8053 cm^3
• Polarizability: 23.333805 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.303 g/mL at 25 °C
• Refractive Index: n20/D 1.471

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C10H15BrO4

DETAILS

Sigma Aldrich - 734586

Application
Atom Transfer Radical Polymerization (ATRP) initiator with a methacrylate functionality for branched polymerization, orthogonal polymerization, or other functionalization.
Packaging
1, 5 g in glass bottle