Back to Search
1-Bromo-2-Propanol
CAS: 19686-73-8 | C3H7BrO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19686-73-8
Molecular Formula:
C3H7BrO
Molecular Mass:
138.99 g/mol
Names and Synonyms:
1-Bromo-2-Propanol
2-Propanol, 1-bromo-
1-Bromo-2-propanol
2-Hydroxy-2-methylethyl bromide
2-Hydroxypropyl bromide
1-Bromo-2-hydroxypropane
Propylene bromohydrin
(±)-1-Bromo-2-propanol
Identifiers:
SMILES:
CC(O)CBr
InChI:
InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
Key Properties
Boiling Point
146.5 °C
CAS Common Chemistry
Density
1.56 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 | 138.99 g/mol | CAS Common Chemistry |
| 138.992 g/mol | RDKit | |
| 137.968026944 g/mol | RDKit | |
| Density | 1.56 g/cm³ | CAS Common Chemistry |
| 1.5585 g/cm3 @ Temp: 30 °C | CAS Common Chemistry | |
| Boiling Point | 146.5 °C | CAS Common Chemistry |
| Canonical SMILES | BrCC(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WEGOLYBUWCMMMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Bromo-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.7621 | RDKit |
| Molar Refractivity | 25.47479999999999 | RDKit |
