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1,10-Dibromodecane
CAS: 4101-68-2 | C10H20Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4101-68-2
Molecular Formula:
C10H20Br2
Molecular Mass:
300.08 g/mol
Names and Synonyms:
1,10-Dibromodecane
Decane, 1,10-dibromo-
1,10-Dibromodecane
Decamethylene dibromide
α,ω-Dibromodecane
NSC 6086
Identifiers:
SMILES:
BrCCCCCCCCCCBr
InChI:
InChI=1S/C10H20Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
Key Properties
Boiling Point
161 °C
CAS Common Chemistry
Melting Point
28 °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 | 300.08 g/mol | CAS Common Chemistry |
| 300.0779999999999 g/mol | RDKit | |
| 297.99317484 g/mol | RDKit | |
| Boiling Point | 161 °C | CAS Common Chemistry |
| Canonical SMILES | BrCCCCCCCCCCBr | CAS Common Chemistry |
| InChI | InChI=1S/C10H20Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GTQHJCOHNAFHRE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | 1,10-Dibromodecane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.897000000000004 | RDKit |
| Molar Refractivity | 64.52400000000004 | RDKit |
