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6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, methanesulfonic acid(CAS: 67227-57-0)

6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, methanesulfonic acid
CAS Number

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Basic Information

Molecular Formula
C17H20ClNO6S
Molecular Weight
401.87 g/mol

Physical Properties

Melting Point
271 °C (lit.)
Boiling Point
522.6 °C at 760 mmHg
Density
1.38
Flash Point
269.9 °C

Chemical Identifiers

SMILES
CS(=O)(=O)O.C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O
InChIKey
CVKUMNRCIJMVAR-UHFFFAOYSA-N

Database References

MDL Number
MFCD04112986

FAQ

This compound is a crystalline solid with a molecular weight of approximately 463.8 g/mol. It has poor water solubility but good solubility in organic solvents. Chemically, it is highly reactive due to the presence of a methanesulfonic acid moiety and a phenolic hydroxyl group. It is less reactive towards basic conditions but can undergo hydrolysis under acidic conditions.
The compound is typically synthesized via the methylation of 6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol with methanesulfonic anhydride. The reaction is highly selective and yields a high percentage of the desired product. The method involves careful control of reaction temperature and time to ensure optimal yield and purity.
This compound is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry for modifying polymer properties and in the sensor industry for developing specific chemical sensors. Its use in semiconductors is less common due to its organic nature.
When handling this compound, it is important to wear appropriate personal protective equipment (PPE) including gloves, lab coat, and safety goggles. Work should be carried out in a well-ventilated fume hood. Spills should be cleaned up immediately with appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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