3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine

Basic Information

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CAS Number

32943-25-2

Molecular Formula

C14H12ClN

Molecular Weight

229.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

85.0 to 89.0 deg-C

Boiling Point

347.1 ℃ at 760 mmHg

Density

1.197

Flash Point

163.7°C

Refractive Index

1.611

SMILES

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C1CC2=CC=CC=C2NC3=C1C=CC(=C3)Cl

InChI

InChI=1S/C14H12ClN/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)16-14(11)9-12/h1-4,7-9,16H,5-6H2

InChIKey

MHUXTOYYIDFXRF-UHFFFAOYSA-N

LogP

4.182200000000002

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

243

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

Synonyms & References

English

SCHEMBL6964275
5H-Dibenz[b,f]azepine, 3-chloro-10,11-dihydro-
DTXSID00186595
Clomipramine Impurity F
CHEMBL1890509
SR-01000465381
AC-8085
SMR000476401
Oprea1_820352
3-Chloro-10,11-dihydro-5H-dibenz(b,f)azepine
cid_118364
AC-16234
5H-Dibenz(b,f)azepine, 3-chloro-10,11-dihydro-
32943-25-2
4-Chloro-2,2'-iminodibenzyl
W-106802
FT-0602499
3-CHLORO-10,11-DIHYDRO-5H-DIBENZO(B,F)AZEPINE
BCP34515
Z2044765936
MLS001178937
CLOMIPRAMINE HYDROCHLORIDE IMPURITY F [EP IMPURITY]
3-Chloroiminodibenzyl;3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine
3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine
MFCD01632171
MHUXTOYYIDFXRF-UHFFFAOYSA-
SY036437
NS00029389
5-chloro-2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene
AS-15158
H10842

MDL Number

MFCD01632171

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine (CAS: 32943-25-2)?

3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine has a crystalline form and a molecular weight of 205.57 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethyl acetate and acetonitrile. The compound is not highly reactive under normal conditions but can undergo substitution reactions. It is a complex organic molecule with a dibenzoazepine ring system.

How is 3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine (CAS: 32943-25-2) typically synthesized?

3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine is synthesized through a multi-step process involving condensation reactions and chlorination. Common starting materials include 1,4-dibromobenzene and 1,4-dihydroxybenzene. The synthesis typically requires catalytic hydrogenation and chlorination steps, yielding the target compound with high selectivity and good yield under controlled conditions.

What industries use 3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine (CAS: 32943-25-2)?

3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine is used in the pharmaceutical industry for the development of certain drug candidates. It is also utilized in the polymer industry for modifying polymer properties and in the semiconductor industry for doping applications. Additionally, it finds applications in analytical chemistry as a reagent in certain analytical techniques.

What precautions should be taken when handling 3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine (CAS: 32943-25-2)?

When handling 3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Operations should be conducted in a well-ventilated fume hood to minimize exposure to vapors. In case of spills, use appropriate spill cleanup kits and consult a Material Safety Data Sheet (MSDS) or safety data sheet (SDS) for specific instructions. Proper disposal should be handled according to local regulations.