3-Acetyl-6-bromocoumarin

Catalog Number

ACM2199931-1

CAS

2199-93-1

Structure

Synonyms

3-Acetyl-6-bromo-2H-chromen-2-one;3-acetyl-6-bromochromen-2-one;3-Acetyl-6-bromo-chromen-2-one

IUPAC Name

3-acetyl-6-bromochromen-2-one

Molecular Weight

267.08

Molecular Formula

C11H7BrO3

Canonical SMILES

CC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O

InChI

InChI=1S/C11H7BrO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3

InChI Key

XFQYOFLFNKCHLG-UHFFFAOYSA-N

Boiling Point

441.3 ± 45.0 °C

Melting Point

227 °C

Flash Point

220.7ºC

Purity

≥97%

Density

1.7 g/ml

Appearance

Powder or solid

Storage

-20 °C in the dark

• Catalog Number: ACM2199931-1
• CAS: 2199-93-1
• Synonyms: 3-Acetyl-6-bromo-2H-chromen-2-one;3-acetyl-6-bromochromen-2-one;3-Acetyl-6-bromo-chromen-2-one
• IUPAC Name: 3-acetyl-6-bromochromen-2-one
• Molecular Weight: 267.08
• Molecular Formula: C11H7BrO3
• Canonical SMILES: CC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O
• InChI: InChI=1S/C11H7BrO3/c1-6(13)9-5-7-4-8(12)2-3-10(7)15-11(9)14/h2-5H,1H3
• InChI Key: XFQYOFLFNKCHLG-UHFFFAOYSA-N
• Boiling Point: 441.3 ± 45.0 °C
• Melting Point: 227 °C
• Flash Point: 220.7ºC
• Purity: ≥97%
• Density: 1.7 g/ml
• Appearance: Powder or solid
• Storage: -20 °C in the dark