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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 Weight:
162.019 g/mol
Names and Synonyms:
2,5-Dichloroaniline
Common Name
2,5-Dichlorophenylamine
Synonym
NSC 1492
Synonym
2-Amino-1,4-dichlorobenzene
Synonym
1-Amino-2,5-dichlorobenzene
Synonym
2,5-Dichloro-1-aminobenzene
Synonym
Symulon Scarlet 2G Base
Synonym
Stabamine Scarlet GG
Synonym
Spectrolene Scarlet 2G
Synonym
Scarlet Salt Ciba I
Synonym
Scarlet Base NGG
Synonym
Scarlet Base GG
Synonym
Scarlet Base Ciba I
Synonym
Sanyo Fast Scarlet GG Base
Synonym
Natasol Scarlet GG Salt
Synonym
Naphtoelan Fast Scarlet GG Base
Synonym
Naphthanil Scarlet 2G Base
Synonym
Mitsui Scarlet GG Base
Synonym
Lake Scarlet GG Base
Synonym
Kayaku Scarlet GG Base
Synonym
Kambamine Scarlet GG Base
Synonym
Hindamine Scarlet GG
Synonym
Hiltonil Fast Scarlet 2G Base
Synonym
Hiltonil Fast Scarlet 2GS Base
Synonym
2,5-Dichloroaniline
Synonym
Fast Scarlet MDC Base
Synonym
Fast Scarlet GGS Base
Synonym
Fast Scarlet GG Base
Synonym
Fast Scarlet DS Base
Synonym
Fast Scarlet Base GGT
Synonym
Fast Scarlet Base 2JS
Synonym
Fast Scarlet Base 2J
Synonym
Fast Scarlet 2G Base
Synonym
Fast Scarlet 2G
Synonym
Fast Red SGG Base
Synonym
Devol Scarlet 2GS Base
Synonym
Daito Scarlet Base GG
Synonym
Azogene Fast Scarlet GGC
Synonym
Azoene Fast Scarlet 2G Base
Synonym
Azobase DCA
Synonym
Amarthol Fast Scarlet GGS Base
Synonym
Amarthol Fast Scarlet GG Base
Synonym
2,5-Dichlorobenzenamine
Synonym
Aniline, 2,5-dichloro-
Synonym
Benzenamine, 2,5-dichloro-
Synonym
Identifiers:
SMILES:
Nc1cc(Cl)ccc1Cl
InChI:
InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 162.019 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 160.97990452 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.5756000000000006 | RDKit |
| molecular_mass | 162.02 g/mol | Legacy Database |
| density | 1.54 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2,5-Dichloroaniline None | Legacy Database |
| cas-boiling-point | 251 °C None | Legacy Database |
| cas-canonical-smile | ClC1=CC=C(Cl)C(N)=C1 None | Legacy Database |
| cas-density | 1.54 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=AVYGCQXNNJPXSS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 50 °C None | Legacy Database |
| cas-name | 2,5-Dichloroaniline None | Legacy Database |
| wikipedia-name | 2,5-Dichloroaniline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.87440000000001 | RDKit |