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6-Bromo-1-Hexene
CAS: 2695-47-8 | C6H11Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2695-47-8
Molecular Formula:
C6H11Br
Molecular Mass:
163.06 g/mol
Names and Synonyms:
6-Bromo-1-Hexene
1-Hexene, 6-bromo-
6-Bromo-1-hexene
1-Bromo-5-hexene
5-Hexenyl bromide
6-Bromohexene
5-Hexen-1-yl bromide
Identifiers:
SMILES:
C=CCCCCBr
InChI:
InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2
Key Properties
Boiling Point
151 °C @ Press: 712 Torr
CAS Common Chemistry
Density
1.22 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 | 163.06 g/mol | CAS Common Chemistry |
| 163.058 g/mol | RDKit | |
| 162.004412452 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.2169 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 151 °C @ Press: 712 Torr | CAS Common Chemistry |
| Canonical SMILES | BrCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RIMXEJYJXDBLIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Bromo-1-hexene | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.7376000000000014 | RDKit |
| Molar Refractivity | 37.842000000000006 | RDKit |
