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Molecule
2,5-Dichloroaniline
CAS: 95-82-9 · C6H5Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 95-82-9
- Molecular Formula
- C6H5Cl2N
- Molecular Mass
- 162.02 g/mol
Identifiers
CAS Registry Number
95-82-9
SMILES
Nc1cc(Cl)ccc1Cl
InChI Key
AVYGCQXNNJPXSS-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
Names and Synonyms
- 2,5-Dichloroaniline Systematic Name
- Benzenamine, 2,5-dichloro- Synonym
- Aniline, 2,5-dichloro- Synonym
- 2,5-Dichlorobenzenamine Synonym
- Amarthol Fast Scarlet GG Base Synonym
- Amarthol Fast Scarlet GGS Base Synonym
- Azobase DCA Synonym
- Azoene Fast Scarlet 2G Base Synonym
- Azogene Fast Scarlet GGC Synonym
- Daito Scarlet Base GG Synonym
- Devol Scarlet 2GS Base Synonym
- Fast Red SGG Base Synonym
- Fast Scarlet 2G Synonym
- Fast Scarlet 2G Base Synonym
- Fast Scarlet Base 2J Synonym
- Fast Scarlet Base 2JS Synonym
- Fast Scarlet Base GGT Synonym
- Fast Scarlet DS Base Synonym
- Fast Scarlet GG Base Synonym
- Fast Scarlet GGS Base Synonym
- Fast Scarlet MDC Base Synonym
- 2,5-Dichloroaniline Synonym
- Hiltonil Fast Scarlet 2GS Base Synonym
- Hiltonil Fast Scarlet 2G Base Synonym
- Hindamine Scarlet GG Synonym
- Kambamine Scarlet GG Base Synonym
- Kayaku Scarlet GG Base Synonym
- Lake Scarlet GG Base Synonym
- Mitsui Scarlet GG Base Synonym
- Naphthanil Scarlet 2G Base Synonym
- Naphtoelan Fast Scarlet GG Base Synonym
- Natasol Scarlet GG Salt Synonym
- Sanyo Fast Scarlet GG Base Synonym
- Scarlet Base Ciba I Synonym
- Scarlet Base GG Synonym
- Scarlet Base NGG Synonym
- Scarlet Salt Ciba I Synonym
- Spectrolene Scarlet 2G Synonym
- Stabamine Scarlet GG Synonym
- Symulon Scarlet 2G Base Synonym
- 2,5-Dichloro-1-aminobenzene Synonym
- 1-Amino-2,5-dichlorobenzene Synonym
- 2-Amino-1,4-dichlorobenzene Synonym
- NSC 1492 Synonym
- 2,5-Dichlorophenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.02 g/mol | CAS Common Chemistry |
| 162.019 g/mol | RDKit | |
| 162.013 g/mol | chempirical lib | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.54 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,5-Dichloroaniline | CAS Common Chemistry |
| Boiling Point | 251 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(Cl)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AVYGCQXNNJPXSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50 °C | CAS Common Chemistry |
| Name | 2,5-Dichloroaniline | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.5756000000000006 | RDKit |
| 2.5756 | RDKit | |
| Molar Refractivity | 40.87440000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 160.97990452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 162.02 g/mol; density = 1.540 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H5Cl2N.
