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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 Mass:
162.02 g/mol
Names and Synonyms:
2,5-Dichloroaniline
Benzenamine, 2,5-dichloro-
Aniline, 2,5-dichloro-
2,5-Dichlorobenzenamine
Amarthol Fast Scarlet GG Base
Amarthol Fast Scarlet GGS Base
Azobase DCA
Azoene Fast Scarlet 2G Base
Azogene Fast Scarlet GGC
Daito Scarlet Base GG
Devol Scarlet 2GS Base
Fast Red SGG Base
Fast Scarlet 2G
Fast Scarlet 2G Base
Fast Scarlet Base 2J
Fast Scarlet Base 2JS
Fast Scarlet Base GGT
Fast Scarlet DS Base
Fast Scarlet GG Base
Fast Scarlet GGS Base
Fast Scarlet MDC Base
2,5-Dichloroaniline
Hiltonil Fast Scarlet 2GS Base
Hiltonil Fast Scarlet 2G Base
Hindamine Scarlet GG
Kambamine Scarlet GG Base
Kayaku Scarlet GG Base
Lake Scarlet GG Base
Mitsui Scarlet GG Base
Naphthanil Scarlet 2G Base
Naphtoelan Fast Scarlet GG Base
Natasol Scarlet GG Salt
Sanyo Fast Scarlet GG Base
Scarlet Base Ciba I
Scarlet Base GG
Scarlet Base NGG
Scarlet Salt Ciba I
Spectrolene Scarlet 2G
Stabamine Scarlet GG
Symulon Scarlet 2G Base
2,5-Dichloro-1-aminobenzene
1-Amino-2,5-dichlorobenzene
2-Amino-1,4-dichlorobenzene
NSC 1492
2,5-Dichlorophenylamine
Identifiers:
SMILES:
Nc1cc(Cl)ccc1Cl
InChI:
InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
Key Properties
Boiling Point
251 °C
CAS Common Chemistry
Melting Point
50 °C
CAS Common Chemistry
Density
1.54 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.02 g/mol | CAS Common Chemistry |
| 162.019 g/mol | RDKit | |
| 160.97990452 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 40.87440000000001 | RDKit |
