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1,9-Dibromononane
CAS: 4549-33-1 | C9H18Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4549-33-1
Molecular Formula:
C9H18Br2
Molecular Mass:
286.05 g/mol
Names and Synonyms:
1,9-Dibromononane
Nonane, 1,9-dibromo-
1,9-Dibromononane
NSC 62682
Identifiers:
SMILES:
BrCCCCCCCCCBr
InChI:
InChI=1S/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2
Key Properties
Boiling Point
154-155 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
-22.5 °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 | 286.05 g/mol | CAS Common Chemistry |
| 286.05099999999993 g/mol | RDKit | |
| 283.977524776 g/mol | RDKit | |
| Boiling Point | 154-155 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | BrCCCCCCCCCBr | CAS Common Chemistry |
| InChI | InChI=1S/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WGAXVZXBFBHLMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -22.5 °C | CAS Common Chemistry |
| Name | 1,9-Dibromononane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.5069000000000035 | RDKit |
| Molar Refractivity | 59.90700000000004 | RDKit |
