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8-Bromo-1-Octene
CAS: 2695-48-9 | C8H15Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2695-48-9
Molecular Formula:
C8H15Br
Molecular Mass:
191.11 g/mol
Names and Synonyms:
8-Bromo-1-Octene
1-Octene, 8-bromo-
7-Octenyl bromide
8-Bromooctene
Octene, 8-bromo-
8-Bromo-1-octene
7-Octen-1-yl bromide
1-Bromo-7-octene
Identifiers:
SMILES:
C=CCCCCCCBr
InChI:
InChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
Key Properties
Boiling Point
94-97 °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 | 191.11 g/mol | CAS Common Chemistry |
| 191.112 g/mol | RDKit | |
| 190.03571258 g/mol | RDKit | |
| Boiling Point | 94-97 °C | CAS Common Chemistry |
| Canonical SMILES | BrCCCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SNMOMUYLFLGQQS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 8-Bromo-1-octene | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.517800000000003 | RDKit |
| Molar Refractivity | 47.07600000000003 | RDKit |
