3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Basic Information

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CAS Number

86499-96-9

Molecular Formula

C10H10BrNO

Molecular Weight

240.1 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

175.0 to 179.0 deg-C

Boiling Point

383.2℃ at 760 mmHg

Density

0.93

Flash Point

185.542°C

Refractive Index

1.5065-1.5085

SMILES

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O=C1C(Br)CCC2=CC=CC=C2N1

InChI

InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)

InChIKey

JMXPGCGROVEPID-UHFFFAOYSA-N

LogP

2.3347999999999995

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

207

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

Synonyms & References

English

3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
3-Bromo-1,3,4,5-tetrahdro-2H-benzazepin-2-one
3-Bromobenzocaprolactam
3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE
3-Bromo-2,3,4,5-tetrahydro-2-OXO-1H-1-benzazepine
3-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
BTB
3-Bromo-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
2h-1-benzazepin-2-one, 3-bromo-1,3,4,5-tetrahydro-
3-bromo-2,3,4,5-trtrahydro-2h-1-benzazepine-2-one
3-bromo-1,3,4,5-tetrahydro-2h-benzazepin-2-one
3-bromo-2,3,4,5-tetrahydro-2h-1-benzazepin-2-one
Intermediate 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
3-bromo-1,3,4,5-tetrahydro-2H-1-benzoazepine-2-one
3-bromo-1,3,4,5-tetrahydro-2H-1-benzoazepine-2-on
A-BROMOBENZOCAPROLACTAM
ALPHA-BROMOBENZO-CAPROLACTAM
3-Bromobenzocaprolactam 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

MDL Number

MFCD03085918

Customs Code

2933990090

FAQ

What is 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-96-9)?

3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-96-9) is a heterocyclic organic compound containing a benzazepine ring with a bromine substituent at the 3-position. It is a key intermediate in the synthesis of various pharmaceutical compounds and is known for its reactivity and structural versatility. Its chemical formula is C10H11BrN2O.

What are the main uses of 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-96-9)?

3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-96-9) is primarily used in pharmaceutical research for the development of drugs targeting central nervous system disorders. It also serves as an important building block in organic synthesis and has applications in agrochemicals and specialty chemical products due to its reactivity and functional group compatibility.

Is 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-96-9) safe?

3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-96-9) should be handled with care due to its potential for irritation and toxicity. It is advisable to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines.

How should 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-96-9) be stored?

3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-96-9) should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is recommended to keep it in a sealed, glass container to maintain stability and prevent degradation. Avoid exposure to incompatible substances to ensure safety and longevity.