| Formula |
C8H4N2O |
| IUPAC Name |
4-isocyanatobenzonitrile |
| Molecular Mass |
144.130 g·mol−1 |
| Heat of Formation |
158.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.87 ± 1.08 D |
| Volume |
172.28 Å 3 |
| Surface Area |
179.35 Å 2 |
| HOMO Energy |
-10.14 ± 0.55 eV |
| LUMO Energy |
-1.40 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-cyanophenyl isocyanate
- benzonitrile, 4-isocyanato-
- isocyanic acid, ester with p-cyanophenol
|
| CAS Number(s) |
|
| InChIKey |
TVSXDZNUTPLDKY-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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