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1-Bromododecane
CAS: 143-15-7 | C12H25Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
143-15-7
Molecular Formula:
C12H25Br
Molecular Mass:
249.24 g/mol
Names and Synonyms:
1-Bromododecane
Dodecane, 1-bromo-
1-Bromododecane
Dodecyl bromide
Lauryl bromide
n-Dodecyl bromide
1-Dodecyl bromide
n-Lauryl bromide
NSC 6786
12-Bromododecane
Identifiers:
SMILES:
CCCCCCCCCCCCBr
InChI:
InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
Key Properties
Boiling Point
276 °C
CAS Common Chemistry
Melting Point
-9.5 °C
CAS Common Chemistry
Density
1.04 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 | 249.24 g/mol | CAS Common Chemistry |
| 249.23599999999996 g/mol | RDKit | |
| 248.1139629 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.039 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Bromododecane | CAS Common Chemistry |
| Boiling Point | 276 °C | CAS Common Chemistry |
| Canonical SMILES | BrCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PBLNBZIONSLZBU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -9.5 °C | CAS Common Chemistry |
| Name | 1-Bromododecane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.302200000000005 | RDKit |
| Molar Refractivity | 65.63800000000005 | RDKit |
