8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one

Basic Information

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CAS Number

50892-62-1

Molecular Formula

C13H9ClN2O

Molecular Weight

244.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

234-236°C

SMILES

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C1=CC=C2C(=C1)C(=O)NC3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)

InChIKey

YVWNDABPZGGQFE-UHFFFAOYSA-N

LogP

3.649300000000001

Topological Polar Surface Area

41.13 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

310

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Store in Freezer

Synonyms & References

English

Q27461113
11H-Dibenzo(b,E)(1,4)diazepin-11-one, 8-chloro-5,10-dihydro-
50892-62-1
A828333
6-chloro-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
BDBM50218734
8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one; Clozapine Imp. A (EP); Clozapine Impurity A
EN300-658405
FT-0621521
8-Chloro-5,10-dihydrodebenzo[b,e][1,4]diazepin-11-one
8-CHLORO-5H-DIBENZO[B,E][1,4]DIAZEPIN-11(10H)-ONE
MFCD01863368
UNII-QT944N7MN3
8-Chloro-5,10-Dihydro-11h-Dibenzo[b,E][1,4]diazepin-11-One
8-CHLORO-11-OXO-10,11-DIHYDRO-5H-DIBENZO-1,4-DIAZEPINE
CS-0187284
6-chloro-2,9-diazatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
8-chloro-5,10-dihydro-11H-dibenzo(b,e)(1,4)-diazepine-11-one
Chk1_8
H10197
NS00009130
AC-5494
8-CHLORO-5,10-DIHYDRODIBENZO(B,E)(1,4)DIAZEPIN-11-ONE
HK6
AKOS000282887
AMY40898
8-Chloro-5,10-dihydrodibenzo[b,e][1,4]diazepin-11-one
EC 700-018-5
3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
8-Chloro-5,10-dihydrodibenzo[b,f][1,4]diazepin-11-one
QT944N7MN3

MDL Number

MFCD01863368

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one (CAS: 50892-62-1)?

8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one is a white to off-white solid with a molecular weight of approximately 308.67 g/mol. It has a high solubility in organic solvents like DMSO and moderate solubility in water. This compound is relatively stable under normal conditions but can react with strong bases or acids. It is known for its diazepine ring and chlorine substituent, which make it an interesting compound for various applications.

How is 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one (CAS: 50892-62-1) typically synthesized?

8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one can be synthesized through a multi-step process involving the condensation of benzophenone imine with 1,4-diazepine-1,4-dicarboxylic acid, followed by a series of ring closures and chlorination reactions. This synthesis often requires the use of catalysts and high temperatures, with a typical yield of around 70-80%.

What industries use 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one (CAS: 50892-62-1)?

8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one is primarily used in the pharmaceutical industry for the development of new drugs. It also has potential applications in the production of polymers, sensors, and semiconductors due to its unique chemical structure and reactivity.

What precautions should be taken when handling 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one (CAS: 50892-62-1)?

When handling 8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, immediately clean it up using appropriate absorbent materials and consult the safety data sheet (SDS) for further guidance on disposal and cleanup procedures.