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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.

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Molecular Molecular Weight 162.019 g/mol RDKit
Exact Exact Molecular Weight 160.97990452 g/mol RDKit
Heavy Heavy Atom Count 9 count RDKit
Hydrogen Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit
Rotatable Rotatable Bonds 0 count RDKit
Aromatic Aromatic Ring Count 1 count RDKit
Topological Topological Polar Surface Area 26.02 Ų RDKit
Physical Properties 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 Legacy Database
cas-boiling-point 251 °C Legacy Database
cas-canonical-smile ClC1=CC=C(Cl)C(N)=C1 Legacy Database
cas-density 1.54 g/cm3 Legacy Database
cas-inchi InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2 Legacy Database
cas-inchi-key InChIKey=AVYGCQXNNJPXSS-UHFFFAOYSA-N Legacy Database
cas-melting-point 50 °C Legacy Database
cas-name 2,5-Dichloroaniline Legacy Database
wikipedia-name 2,5-Dichloroaniline Legacy Database
Molar Molar Refractivity 40.87440000000001 RDKit

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