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1-Iodononane
CAS: 4282-42-2 | C9H19I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4282-42-2
Molecular Formula:
C9H19I
Molecular Mass:
254.16 g/mol
Names and Synonyms:
1-Iodononane
Nonane, 1-iodo-
1-Iodononane
Nonyl iodide
1-n-Nonyl iodide
n-Nonyl iodide
1-Nonyl iodide
NSC 5520
1-Iodo-n-nonane
Identifiers:
SMILES:
CCCCCCCCCI
InChI:
InChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
Key Properties
Boiling Point
107-108 °C
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 | 254.16 g/mol | CAS Common Chemistry |
| 254.155 g/mol | RDKit | |
| 254.053148608 g/mol | RDKit | |
| Boiling Point | 107-108 °C | CAS Common Chemistry |
| Canonical SMILES | ICCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OGSJMFCWOUHXHN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Iodononane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.172000000000003 | RDKit |
| Molar Refractivity | 56.88000000000004 | RDKit |
