Methyl 3-(4-bromomethyl)cinnamate

• Catalog Number: ACM946996
• Product Name: Methyl 3-(4-bromomethyl)cinnamate
• CAS: 946-99-6
• Category: Bromine Series
• Synonyms: 4-Bromomethyl cinnamate
• IUPAC Name: Methyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
• Molecular Weight: 255.11
• Molecular Formula: C₁₁H₁₁BrO₂
• Canonical SMILES: COC(=O)C=CC1=CC=C(C=C1)CBr
• InChI: InChI=1S/C11H11BrO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,8H2,1H3/b7-6+
• InChI Key: ZSRCGGBALFGALF-VOTSOKGWSA-N
• Boiling Point: 333.9±22.0 °C
• Melting Point: 62-63 °C
• Flash Point: 155.7ºC
• Density: 1.418±0.06 g/cm³
• EC Number: 619-059-4
• Exact Mass: 253.99424
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Isomeric SMILES: COC(=O)/C=C/C1=CC=C(C=C1)CBr
• Monoisotopic Mass: 253.99424
• Physical State: Solid
• Storage Conditions: Inert atmosphere,2-8 °C
• Topological Polar Surface Area: 26.3 Ų