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Carbazole
CAS: 86-74-8 | C12H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-74-8
Molecular Formula:
C12H9N
Molecular Mass:
167.21 g/mol
Names and Synonyms:
Carbazole
9H-Carbazole
Carbazole
9-Azafluorene
Dibenzopyrrole
Dibenzo[b,d]pyrrole
Diphenylenimine
SKF 20091
NSC 3498
Chlorophenesin carbamate
Identifiers:
SMILES:
c1ccc2c(c1)[nH]c1ccccc12
InChI:
InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
Key Properties
Boiling Point
355 °C
CAS Common Chemistry
Melting Point
245 °C
CAS Common Chemistry
Density
1.10 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.21 g/mol | CAS Common Chemistry |
| 167.21099999999998 g/mol | RDKit | |
| 167.073499288 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbazole | CAS Common Chemistry |
| Boiling Point | 355 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)NC=3C=CC=CC32 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H | CAS Common Chemistry |
| InChI Key | InChIKey=UJOBWOGCFQCDNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 245 °C | CAS Common Chemistry |
| Name | Carbazole | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 15.79 Ų | RDKit |
| LogP | 3.3211000000000013 | RDKit |
| Molar Refractivity | 55.804700000000025 | RDKit |
