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Molecule
2,5-Dichlorobenzenediazonium
CAS: 15470-55-0 · C6H3Cl2N2+
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15470-55-0
- Molecular Formula
- C6H3Cl2N2+
- Molecular Mass
- 174.01 g/mol
Identifiers
CAS Registry Number
15470-55-0
SMILES
N#[N+]c1cc(Cl)ccc1Cl
InChI Key
MPHSORCNUGSJAA-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3H/q+1
Names and Synonyms
- 2,5-Dichlorobenzenediazonium Synonym
- Benzenediazonium, 2,5-dichloro- Synonym
- 2,5-Dichlorobenzenediazonium Synonym
- Fast Scarlet GG Salt Synonym
- Diazol Scarlet 2Zh Synonym
- Diazo Fast Scarlet GG Synonym
- C.I. Azoic Diazo Component 3 Synonym
- Azoic Diazo Component 3 Synonym
- Scarlet Salt GG Synonym
- Icho Salt Scarlet GG Synonym
- Fast Scarlet GGS Base Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.01 g/mol | CAS Common Chemistry |
| 174.004 g/mol | chempirical lib | |
| Canonical SMILES | N#[N+]C1=CC(Cl)=CC=C1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C6H3Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3H/q+1 | CAS Common Chemistry |
| InChI Key | InChIKey=MPHSORCNUGSJAA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,5-Dichlorobenzenediazonium | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 28.15 Ų | RDKit |
| LogP | 3.4779800000000005 | RDKit |
| 3.478 | RDKit | |
| Molar Refractivity | 41.20600000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 1 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 172.96677987609 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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MW = 174.01 g/mol. Edit any field — others recompute live.
