Back to Search
Molecule
Bromo-3,5-Dichlorobenzene
CAS: 19752-55-7 · C6H3BrCl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 19752-55-7
- Molecular Formula
- C6H3BrCl2
- Molecular Mass
- 225.90 g/mol
Identifiers
CAS Registry Number
19752-55-7
SMILES
Clc1cc(Cl)cc(Br)c1
InChI Key
DZHFFMWJXJBBRG-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3H
Names and Synonyms
- Bromo-3,5-Dichlorobenzene Systematic Name
- Benzene, 1-bromo-3,5-dichloro- Synonym
- 1-Bromo-3,5-dichlorobenzene Synonym
- 3,5-Dichlorobromobenzene Synonym
- Bromo-3,5-dichlorobenzene Synonym
- 3,5-Dichloro-1-bromobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.90 g/mol | CAS Common Chemistry |
| 225.9 g/mol | RDKit | |
| 225.894 g/mol | chempirical lib | |
| Boiling Point | 232 °C | CAS Common Chemistry |
| Canonical SMILES | ClC=1C=C(Cl)C=C(Br)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=DZHFFMWJXJBBRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83 °C | CAS Common Chemistry |
| Name | Bromo-3,5-dichlorobenzene | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.7559000000000005 | RDKit |
| 3.7559 | RDKit | |
| Molar Refractivity | 44.162000000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 223.879517556 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
Convert
Quick conversion
MW = 225.90 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H3BrCl2.
