4-Chloro-3-nitrocoumarin

Catalog Number

ACM38464209-1

CAS

38464-20-9

Structure

Synonyms

4-chloro-3-nitro-2H-chromen-2-one;4-chloro-3-nitrochromen-2-one;4-Chloro-3-nitro-chromen-2-one

IUPAC Name

4-chloro-3-nitrochromen-2-one

Molecular Weight

225.58

Molecular Formula

C9H4ClNO4

Canonical SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H4ClNO4/c10-7-5-3-1-2-4-6(5)15-9(12)8(7)11(13)14/h1-4H

InChI Key

OFLRQEKOAGDHKT-UHFFFAOYSA-N

Boiling Point

338.7ºC at 760mmHg

Melting Point

160 - 164 °C

Flash Point

158.6ºC

Purity

≥97%

Density

1.6g/cm³

Appearance

Powder or solid

Storage

-20 °C in the dark

• Catalog Number: ACM38464209-1
• CAS: 38464-20-9
• Synonyms: 4-chloro-3-nitro-2H-chromen-2-one;4-chloro-3-nitrochromen-2-one;4-Chloro-3-nitro-chromen-2-one
• IUPAC Name: 4-chloro-3-nitrochromen-2-one
• Molecular Weight: 225.58
• Molecular Formula: C9H4ClNO4
• Canonical SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl
• InChI: InChI=1S/C9H4ClNO4/c10-7-5-3-1-2-4-6(5)15-9(12)8(7)11(13)14/h1-4H
• InChI Key: OFLRQEKOAGDHKT-UHFFFAOYSA-N
• Boiling Point: 338.7ºC at 760mmHg
• Melting Point: 160 - 164 °C
• Flash Point: 158.6ºC
• Purity: ≥97%
• Density: 1.6g/cm³
• Appearance: Powder or solid
• Storage: -20 °C in the dark