6-(Chloromethyl)-11H-dibenzo[b,e]azepine

Basic Information

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CAS Number

21535-44-4

Molecular Formula

C15H12ClN

Molecular Weight

241.72 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

351 °Cat760mmHg

Density

1.19

Flash Point

166.1 °C

Refractive Index

1.625

SMILES

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C1C2=CC=CC=C2C(=NC3=CC=CC=C31)CCl

InChI

InChI=1S/C15H12ClN/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8H,9-10H2

InChIKey

IIMMHAZDMPISBS-UHFFFAOYSA-N

LogP

3.950400000000003

Topological Polar Surface Area

12.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

299

Synonyms & References

English

(E)-6-(chloromethyl)-11H-dibenzo[b,e]azepine
AB-323/13887495
6-(chloromethyl)-11H-benzo[c][1]benzazepine
21535-44-4
SMR000475689
6-Chloromethylmorphanthridine
J-014137
AS-76517
AM20030354
6-Chloromethylmorphenthridine
A815455
FT-0664793
O11503
6-(chloromethyl)-11H-dibenzo[b,e]azepine
6-(Chloromethyl)-morphanthridine;
6-(Chloromethyl)-11H-dibenz[b,e]azepine
C15H12ClN
HMS2808C12
AKOS015915307
CHEMBL1712128
MLS001180355
FT-0654909
SCHEMBL22966453
DTXSID70355711
6-(Chloromethyl)-11H-dibenzo[b,e]azepine
6-CHLOROMETHYLMORPHANTHRIDINE
6-Chloromethylmorphanthridin
Morphanthridine,6-(chloromethyl)- (8CI)
6-(CHLOROMETHYL)-11H-DIBENZO[B,E]AZEPINE
11H-Dibenz[b,e]azepine, 6-(chloromethyl)-
Epinastine Impurity 16

MDL Number

MFCD02167647

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 6-(Chloromethyl)-11H-dibenzo[b,e]azepine (CAS: 21535-44-4)?

6-(Chloromethyl)-11H-dibenzo[b,e]azepine is a crystalline solid with a molecular weight of approximately 426.12 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is also known to form stable complexes with various metal ions.

How is 6-(Chloromethyl)-11H-dibenzo[b,e]azepine (CAS: 21535-44-4) typically synthesized?

6-(Chloromethyl)-11H-dibenzo[b,e]azepine is typically synthesized through the condensation of 11-chloro-6,11-dihydrodibenzo[b,e]azepine with methanol in the presence of a strong acid catalyst such as sulfuric acid. The reaction is carried out under anhydrous conditions to ensure high yield and selectivity.

What industries use 6-(Chloromethyl)-11H-dibenzo[b,e]azepine (CAS: 21535-44-4)?

6-(Chloromethyl)-11H-dibenzo[b,e]azepine is used in the pharmaceutical industry for its potential as a drug candidate, particularly in the development of anti-inflammatory and anti-cancer agents. It is also used in the polymer industry for the synthesis of functional polymers and in the sensor industry due to its reactivity towards specific analytes.

What precautions should be taken when handling 6-(Chloromethyl)-11H-dibenzo[b,e]azepine (CAS: 21535-44-4)?

When handling 6-(Chloromethyl)-11H-dibenzo[b,e]azepine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be handled in a fume hood to minimize exposure to air and to prevent inhalation. In case of a spill, the area should be flushed with water and the spill cleaned up carefully following standard laboratory procedures. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.