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(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid(CAS: 55453-87-7)

(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
CAS Number

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Basic Information

Molecular Formula
C16H12O4
Molecular Weight
268.27 g/mol
Physical State
Solid

Physical Properties

Melting Point
140.0 to 142.0 deg-C
Boiling Point
528.2°C at 760 mmHg
Density
1.349
Flash Point
203.8 °C

Chemical Identifiers

SMILES
C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O
InChIKey
QFGMXJOBTNZHEL-UHFFFAOYSA-N

Database References

MDL Number
MFCD00242952

FAQ

This compound, with the CAS number 55453-87-7, is a complex organic molecule featuring a dibenzo[b,e]oxepin core with an acetic acid group attached at the 2-yl position. Its chemical formula is C16H12O3, and it is typically a yellow solid with low solubility in water but moderate solubility in organic solvents. The compound exhibits stability under standard conditions but requires careful handling due to its potential reactivity.
This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development, particularly in the synthesis of antidepressants and antipsychotic agents. It also serves as an intermediate in organic chemistry for creating complex structures. Additionally, it may find applications in material science and as a research tool for studying molecular interactions and biological activity.
Safety data for this compound is limited, but general precautions apply. It should be handled with care, wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Avoid inhalation and skin contact, and ensure proper ventilation. While no specific toxicity is reported, adherence to OSHA and EPA guidelines is recommended to minimize exposure risks during handling or disposal.
This compound should be stored in a sealed, light-resistant container in a cool, dry place at temperatures below 25°C. Keep it away from moisture and heat to maintain stability. Avoid exposure to air and light to prevent degradation. Proper storage conditions are essential to ensure its chemical integrity and safety for future use.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures