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1-Bromonaphthalene
CAS: 90-11-9 | C10H7Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-11-9
Molecular Formula:
C10H7Br
Molecular Mass:
207.07 g/mol
Names and Synonyms:
1-Bromonaphthalene
Naphthalene, 1-bromo-
1-Bromonaphthalene
α-Bromonaphthalene
α-Naphthyl bromide
1-Naphthyl bromide
NSC 6551
Naphthalen-1-yl bromide
Identifiers:
SMILES:
Brc1cccc2ccccc12
InChI:
InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
Key Properties
Boiling Point
281 °C
CAS Common Chemistry
Melting Point
-1.8 °C
CAS Common Chemistry
Density
1.48 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 | 207.07 g/mol | CAS Common Chemistry |
| 205.973112324 g/mol | RDKit | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.4834 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Bromonaphthalene | CAS Common Chemistry |
| Boiling Point | 281 °C | CAS Common Chemistry |
| Canonical SMILES | BrC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=DLKQHBOKULLWDQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -1.8 °C | CAS Common Chemistry |
| Name | 1-Bromonaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.6023000000000014 | RDKit |
| Molar Refractivity | 51.648000000000025 | RDKit |
