10,11-Dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide

Basic Information

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CAS Number

7199-29-3

Molecular Formula

C16H15NO

Molecular Weight

237.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

193-194°

Boiling Point

379.83°C (rough estimate)

Density

1.0479 (rough estimate)

Flash Point

219.2±28.7 °C

Solubility

Chloroform (Slightly), Methanol (Slightly)

Refractive Index

1.6000 (estimate)

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(=O)N

InChI

InChI=1S/C16H15NO/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H2,17,18)

InChIKey

APBVLLORZMAWKI-UHFFFAOYSA-N

LogP

2.402400000000001

Topological Polar Surface Area

43.09 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

290

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

Toxicity

LD50 in mice (g/kg): 4.2-5.2 orally; 2.4-2.6 i.p. (Funcke)

Synonyms & References

English

SR-01000944808
DTXCID4026551
Ciheptamida
SR-01000944808-1
BRN 2273660
NCGC00166143-01
CYHEPTAMIDE [INN]
Dibenzo(a,d)(1,4)-cycloheptadiene-5-carboxamide
EINECS 230-570-8
Cyheptamidum
Dibenzo(a,d)cycloheptadiene-5-carboxamide
BS 7029
Tox21_112337
Cyheptamiede Form-III
10,11-dihydro-5H-dibenz[a,d]cycloheptene-5-carboxamide
CAS-7199-29-3
NS00037314
D03628
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
CYHEPTAMIDE
tricyclo[9.4.0.0?,?]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
Cyheptamine
7199-29-3
DTXSID6046551
10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide
Cyheptamide [USAN:INN]
AY 8682
UNII-6R22P8K61P
AY-8682
Cyheptamide (USAN/INN)
FT-0665420

MDL Number

MFCD00060292

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 10,11-Dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide (CAS: 7199-29-3)?

10,11-Dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide has a crystalline form with a molecular weight of approximately 294.28 g/mol. It is slightly soluble in organic solvents like DMF and DMSO. This compound exhibits good stability but can react with strong acids or bases. It is not flammable but care should be taken during synthesis and use to avoid decomposition or thermal degradation.

How is 10,11-Dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide (CAS: 7199-29-3) typically synthesized?

10,11-Dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide is typically synthesized via a multistep process involving the preparation of dibenzo[a,d][7]annulene and subsequent carboxylation. The synthesis often requires the use of a Lewis acid catalyst. The yield is moderate, around 50-60%, with good selectivity towards the desired product.

What industries use 10,11-Dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide (CAS: 7199-29-3)?

10,11-Dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide finds applications in the pharmaceutical industry for its potential use in drug discovery, particularly as a scaffold for designing new compounds. It is also used in the semiconductor industry as a building block for organic semiconductors and in polymer science for the synthesis of novel materials with specific electronic properties.

What precautions should be taken when handling 10,11-Dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide (CAS: 7199-29-3)?

When handling 10,11-Dihydro-5H-dibenzo[a,d][7]annulene-5-carboxamide, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up carefully, and the material safety data sheet (MSDS) should be consulted for specific disposal instructions to avoid environmental contamination. It is not flammable but care should be taken to avoid heat or strong acids/bases that could cause decomposition.