10,11-Dihydro-5H-dibenzo[b,f]azepine

Basic Information

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CAS Number

494-19-9

Molecular Formula

C14H13N

Molecular Weight

195.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

106.0 to 110.0 deg-C

Boiling Point

327.7℃/760mmHg

Flash Point

161.3℃

Refractive Index

1.6353 (estimate)

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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C1CC2=CC=CC=C2NC3=CC=CC=C31

InChI

InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2

InChIKey

ZSMRRZONCYIFNB-UHFFFAOYSA-N

LogP

3.5288000000000013

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

191

Safety Information

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GHS Hazard Pictograms

H320

Hazard Statement

H320 Causes eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NS00005580
Iminodibenyl
SR-01000395830-1
5H-Dibenz[b,f]azepine, 10,11-dihydro-
10,f]azepine
SY005302
6,11-dihydro-5H-benzo[b][1]benzazepine
10,11-Dihydro-5H-dibenz[b,f]azepine
WLN: T C676 BM&T&J
Iminodibenzyl
NSC72110
CARBAMAZEPINE IMPURITY E [IP]
10,11-Dihydro-5H-dibenzo[b,f]azepine
CS-0020288
SCHEMBL407439
MFCD00005070
10,11-DIHYDRO-5H-DIBENZ(B.F)AZEPINE
AC-7238
IMINODIBENZYL TRIMIPRAMINE [USP IMPURITY]
DTXCID7029374
PD065559
Clomipramine HCl EP Impurity E
2,2'-Iminodibenzyl
NCGC00260382-01
Tox21_113758
5H-Dibenz(b,f)azepine, 10,11-dihydro-
Q1096623
EC 207-787-1
Iminodibenzyl, Pharmaceutical Secondary Standard; Certified Reference Material
5H-Dibenzo[b,f]azepine, 10,11-dihydro-
A827711

MDL Number

MFCD00005070

Customs Code

2933990090

FAQ

What is 10,11-Dihydro-5H-dibenzo[b,f]azepine (CAS: 494-19-9)?

10,11-Dihydro-5H-dibenzo[b,f]azepine (CAS: 494-19-9) is a heterocyclic organic compound with the chemical formula C15H13N. It belongs to the dibenzoazepine class, characterized by a seven-membered azepine ring fused to two benzene rings. This compound is known for its stability and is commonly used as a key intermediate in pharmaceutical synthesis. Its physical properties include a solid crystalline form with a melting point around 130–135°C, and it is typically insoluble in water but soluble in organic solvents.

What are the main uses of 10,11-Dihydro-5H-dibenzo[b,f]azepine (CAS: 494-19-9)?

10,11-Dihydro-5H-dibenzo[b,f]azepine (CAS: 494-19-9) is primarily used in pharmaceuticals as a precursor for antipsychotic drugs like aripiprazole. It also finds applications in chemical research for developing new compounds and in industrial processes for synthesizing dyes or materials. Its versatility makes it valuable in drug discovery and as a building block for complex molecules in medicinal chemistry.

Is 10,11-Dihydro-5H-dibenzo[b,f]azepine (CAS: 494-19-9) safe?

10,11-Dihydro-5H-dibenzo[b,f]azepine (CAS: 494-19-9) is generally considered safe when handled according to standard laboratory protocols. However, it requires precautions such as wearing protective gloves, goggles, and lab coats to avoid skin or eye contact. Inhalation should be minimized, and proper ventilation is advised. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines. It is not intended for human or animal consumption and must be used in controlled environments.

How should 10,11-Dihydro-5H-dibenzo[b,f]azepine (CAS: 494-19-9) be stored?

10,11-Dihydro-5H-dibenzo[b,f]azepine (CAS: 494-19-9) should be stored in a cool, dry, and dark place to maintain stability. Keep it in a sealed container to prevent moisture absorption, and avoid exposure to air or light. Storage conditions typically require temperatures below 25°C, with humidity levels below 60%. Always ensure proper labeling and store away from incompatible substances to ensure safety and longevity.