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1-Bromo-2-hydroxynaphthalene
CAS: 573-97-7 | C10H7BrO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
573-97-7
Molecular Formula:
C10H7BrO
Molecular Mass:
223.07 g/mol
Names and Synonyms:
1-Bromo-2-hydroxynaphthalene
1-Bromonaphthalen-2-ol
NSC 60275
1-Bromo-2-Naphthol
2-Naphthalenol, 1-bromo-
2-Naphthol, 1-bromo-
1-Bromo-2-naphthalenol
α-Bromo-β-naphthol
1-Bromo-β-naphthol
1-Bromo-2-naphthol
Disthemin
Wormin
Identifiers:
SMILES:
Oc1ccc2ccccc2c1Br
InChI:
InChI=1S/C10H7BrO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H
Key Properties
Boiling Point
130 °C
CAS Common Chemistry
Melting Point
84 °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 | 223.07 g/mol | CAS Common Chemistry |
| 223.06899999999996 g/mol | RDKit | |
| 221.968026944 g/mol | RDKit | |
| Boiling Point | 130 °C | CAS Common Chemistry |
| Canonical SMILES | BrC1=C(O)C=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7BrO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H | CAS Common Chemistry |
| InChI Key | InChIKey=FQJZPYXGPYJJIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 84 °C | CAS Common Chemistry |
| Name | 1-Bromo-2-naphthol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.307900000000001 | RDKit |
| Molar Refractivity | 53.31280000000002 | RDKit |
