CAS 86-74-8 Carbazole - Materials / Alfa Chemistry

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Small Molecule Semiconductor Building Blocks

Carbazole

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Catalog Number

ACM86748

Product Name

Carbazole

Structure

CAS

86-74-8

Category

Small Molecule Semiconductor Building Blocks

Description

Carbazole appears as white crystals, plates, leaflets or light tan powder. Sublimes readily. Exhibits strong fluorescence and long phosphorescence on exposure to ultraviolet light. (NTP, 1992)

IUPAC Name

9H-carbazole

Molecular Weight

167.21g/mol

Molecular Formula

C12H9N

Canonical SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2

InChI

InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

InChI Key

UJOBWOGCFQCDNV-UHFFFAOYSA-N

Boiling Point

671 °F at 760 mm Hg (NTP, 1992);354.7 °C;354.6 °C

Melting Point

473 to 475 °F (NTP, 1992);246.2 °C;245 °C

Flash Point

220.0 °C (428.0 °F) - closed cup

Density

1.1 at 64 °F (NTP, 1992);1.10 at 18 °C/4 °C

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);1.08e-05 M;In water, 1.80 mg/L at 25 °C;In water, 1.20 mg/L at 20 °C;1 gram dissolves in 3 mL quinoline, 6 mL pyridine, 9 mL acetone, 2 mL acetone at 50 °C, 35 mL ether, 120 mL benzene, 135 mL absolute alcohol; slightly soluble in petroleum ether, chlorinated hydrocarbons, acetic acid; dissolves in concentrated sulfuric acid without decomposition;Slightly soluble in pyrimidine, carbon disulfide; soluble in hot chloroform, toluene

Color/Form

Crystals from alcohol, benzene, toluene, glacial acetic acid;White crystals;White crystals, plates, leaflets or light tan powder

Complexity

170

Covalently-Bonded Unit Count

EC Number

201-696-0

Exact Mass

167.073499g/mol

Formal Charge

Heat of Vaporization

65.7 kJ/mol at 540 K

Heavy Atom Count

Log P

3.72 (LogP);log Kow = 3.72

MeSH Entry Terms

9-azafluorene;9H-carbazole;carbazole;dibenzo(b,d)pyrrole;dibenzopyrrole;diphenylenimine

Monoisotopic Mass

167.073499g/mol

NSC Number

3498

Odor

Characteristic odor

Other Experimental

Exhibits strong fluorescence and long phosphorescence on exposure to UV light;Sublimes readily;Potassium hydroxide fusion yields n-potassium salt;An approximated pKa value for carbazole, between those of indole and pyrrole (-2.4 and -3.8), indicates that the environmental chemistry of carbazole will involve only the free base.;Henry's Law constant = 1.16X10-7 atm-cu m/mole at 25 °C;Hydroxyl radical reaction rate constant = 4.0X10-11 cu cm/molecule-sec at 25 °C

Rotatable Bond Count

RTECS Number

FE3150000

Stability

Stable under recommended storage conditions.

UNII

0P2197HHHN

Vapor Pressure

400 mm Hg at 613 °F (NTP, 1992);7.50e-07 mmHg;1.5X10-6 mm Hg at 25 °C (extrapolated)

XLogP3

3.7

MSDS