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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
2,5-Dichlorophenylamine
NSC 1492
2-Amino-1,4-dichlorobenzene
1-Amino-2,5-dichlorobenzene
2,5-Dichloro-1-aminobenzene
Symulon Scarlet 2G Base
Stabamine Scarlet GG
Spectrolene Scarlet 2G
Scarlet Salt Ciba I
Scarlet Base NGG
Scarlet Base GG
Scarlet Base Ciba I
Sanyo Fast Scarlet GG Base
Natasol Scarlet GG Salt
Naphtoelan Fast Scarlet GG Base
Naphthanil Scarlet 2G Base
Mitsui Scarlet GG Base
Lake Scarlet GG Base
Kayaku Scarlet GG Base
Kambamine Scarlet GG Base
Hindamine Scarlet GG
Hiltonil Fast Scarlet 2G Base
Hiltonil Fast Scarlet 2GS Base
2,5-Dichloroaniline
Fast Scarlet MDC Base
Fast Scarlet GGS Base
Fast Scarlet GG Base
Fast Scarlet DS Base
Fast Scarlet Base GGT
Fast Scarlet Base 2JS
Fast Scarlet Base 2J
Fast Scarlet 2G Base
Fast Scarlet 2G
Fast Red SGG Base
Devol Scarlet 2GS Base
Daito Scarlet Base GG
Azogene Fast Scarlet GGC
Azoene Fast Scarlet 2G Base
Azobase DCA
Amarthol Fast Scarlet GGS Base
Amarthol Fast Scarlet GG Base
2,5-Dichlorobenzenamine
Aniline, 2,5-dichloro-
Benzenamine, 2,5-dichloro-
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 2.5756000000000006 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.87440000000001 | RDKit |
