9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Basic Information

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CAS Number

958261-51-3

Molecular Formula

C41H65B2NO4

Molecular Weight

657.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

144.0 to 148.0 deg-C

Boiling Point

695.7°C at 760 mmHg

Density

1.01

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3C(CCCCCCCC)CCCCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C

InChI

InChI=1S/C41H65B2NO4/c1-11-13-15-17-19-21-23-33(24-22-20-18-16-14-12-2)44-36-29-31(42-45-38(3,4)39(5,6)46-42)25-27-34(36)35-28-26-32(30-37(35)44)43-47-40(7,8)41(9,10)48-43/h25-30,33H,11-24H2,1-10H3

InChIKey

XMKFCPVHTTWWCK-UHFFFAOYSA-N

LogP

10.435199999999996

Topological Polar Surface Area

41.85000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

895

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
9-(9-Heptadecanyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
9-(1-OCTYLNONYL)-2,7-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-9H-CARBAZOLE
9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
9-(9-Heptadecanyl)carbazole-2,7-diboronic Acid Bis(pinacol) Ester
9-(1-n-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
9-(1-n-Octylnonyl)carbazole-2,7-diboronic Acid Bis(pinacol) Ester
9-(1-Octylnonyl)carbazole-2,7-bis(boronic acid pinacol ester)
AK123236
C41H65B2NO4
XMKFCPVHTTWWCK-UHFFFAOYSA-N
6553AC
3,2-dioxaborolan-2-yl)-9H-carbazole
BC001299
O0428
ST24045845
261O513
9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbaz
9-(1-Octylnonyl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (ACI)
2,7-Bis(4′,4′,5′,5′-tetramethyl-1′,3′,2′-dioxaborolan-2′-yl)-N-9′′-heptadecanylcarbazole
9-(9-Heptadecanyl)-9H-carbazole-2,7-diboronic acid bis(pinacol) ester
9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
AC-33720
C77308
SCHEMBL2726948
DB-080346
DS-6908
9-(9-HEPTADECANYL)-9H-CARBAZOLE-2,7-DIBORONIC ACID BIS(PINACOL) ESTER
YSCH0244
9-(HEPTADECAN-9-YL)-2,7-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CARBAZOLE
9-(9-Heptadecanyl)-9H-carbazole-2,7-diboronic acid bis(pinacol) ester, 97%

MDL Number

MFCD16621134

FAQ

What is 9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (CAS: 958261-51-3)?

9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole is a complex organic compound with a unique molecular structure that includes a heptadecyl group and two tetramethyl-1,3,2-dioxaborolan-2-yl groups attached to a carbazole ring. This compound is characterized by its stability and potential for use in various applications due to its electronic properties.

What are the main uses of 9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (CAS: 958261-51-3)?

9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole is primarily used in the synthesis of functional materials, particularly in the development of organic light-emitting diodes (OLEDs) and as a precursor in pharmaceutical and polymer chemistry. It is also utilized in academic research for studying the properties of organic compounds.

Is 9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (CAS: 958261-51-3) safe?

9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole is generally considered safe when handled with appropriate precautions. However, it is important to follow safety guidelines such as wearing personal protective equipment, ensuring proper ventilation, and storing it in a cool, dry place away from direct sunlight. Exposure to this compound should be minimized to avoid any potential health risks.

How should 9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (CAS: 958261-51-3) be stored?

9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole should be stored in a cool, dry place at room temperature and away from direct sunlight and sources of heat to prevent degradation. It should be kept in a tightly sealed container to maintain its stability. Adequate ventilation should be ensured to avoid the buildup of flammable gases. Handling should be done with care to prevent spills or contamination.