CAS 191-24-2 1H-pyrrolo(2,3-b)pyridine-3-acetic acid

NAVIGATION

1H-pyrrolo(2,3-b)pyridine-3-acetic acid

PRICE INQUIRY

Catalog Number

ACM191242

CAS Number

191-24-2

Product Name

1H-pyrrolo(2,3-b)pyridine-3-acetic acid

Structure

Category

Electroluminescence Materials

Synonyms

1H-pyrrolo(2,3-b)pyridine-3-acetic acid;7-Azaindole-3-acetic acid

Description

Benzo[ghi]perylene is a colorless to white crystalline solid. Water insoluble.;PALE YELLOW-GREEN CRYSTALS.

IUPAC Name

hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene

Molecular Weight

276.3g/mol

Molecular Formula

C22H12;C22H12

Canonical SMILES

C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2

InChI

InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H

InChI Key

GYFAGKUZYNFMBN-UHFFFAOYSA-N

Boiling Point

550 °C at 760 mm Hg;550 °C

Melting Point

531 to 534 °F (NTP, 1992);278.0 °C;278.3 °C;278 °C

Density

1.3 g/cu cm;1.3 g/cm³

Solubility

9.41e-10 M;In water, 2.6X10-4 mg/L at 25 °C;Soluble in 1,4-dioxane, dichloromethane, benzene, and acetone;Solubility in water: none

Color/Form

Yellow-green fluorescent leaflets from benzene;Large, pale yellow-green plates (recrystallized from xylene)

Complexity

411

Covalently-Bonded Unit Count

EC Number

205-883-8

Exact Mass

276.0939g/mol

Formal Charge

Heat of Vaporization

96.1 kJ/mol (323-473 K)

Heavy Atom Count

ICSC Number

0739

Log P

6.63 (LogP);log Kow = 6.63;6.58

MeSH Entry Terms

1,12-benzoperylene;1,12-benzperylene;benzo(ghi)perylene

Monoisotopic Mass

276.0939g/mol

NSC Number

89275

Other Experimental

Reaction with bromomaleic anhydride forms a dibromobenzo(ghi)perylene byproduct as well as coronene-dicarboxylic anhydride derivatives; reacts with nitrogen oxide & nitrogen dioxide to form nitro derivatives.;Enthalpy of fusion: 17.37 kJ/mol at 554.2 K;Henry's Law constant = 2.66X10-7 atm cu-m/mol at 20 °C;Hydroxyl radical reaction rate constant = 8.7X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

DI6200500

Stability

Stable under recommended storage conditions.[Sigma-Aldrich; Safety Data Sheet for Benzo;Stable to photo oxidation.

UNII

5ZME2E2Q9L

UN Number

3077;3082

Vapor Pressure

1.00e-10 mmHg;1.0X10-10 mm Hg at 25 °C

XLogP3