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Molecule
9,10-Dibromoanthracene
CAS: 523-27-3 · C14H8Br2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 523-27-3
- Molecular Formula
- C14H8Br2
- Molecular Mass
- 336.03 g/mol
Identifiers
CAS Registry Number
523-27-3
SMILES
Brc1c2ccccc2c(Br)c2ccccc12
InChI Key
BRUOAURMAFDGLP-UHFFFAOYSA-N
InChI
InChI=1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
Names and Synonyms
- 9,10-Dibromoanthracene Systematic Name
- Anthracene, 9,10-dibromo- Synonym
- 9,10-Dibromoanthracene Synonym
- NSC 6263 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 336.03 g/mol | CAS Common Chemistry |
| 336.02600000000007 g/mol | RDKit | |
| 336.026 g/mol | RDKit | |
| Density | 1.98 g/cm³ | CAS Common Chemistry |
| 1.983 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/9,10-Dibromoanthracene | CAS Common Chemistry |
| Canonical SMILES | BrC=1C=2C=CC=CC2C(Br)=C3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=BRUOAURMAFDGLP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 226 °C | CAS Common Chemistry |
| Name | 9,10-Dibromoanthracene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.518000000000002 | RDKit |
| 5.518 | RDKit | |
| Molar Refractivity | 76.85400000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 333.899274456 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 336.03 g/mol; density = 1.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H8Br2.
