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4-Chloropyridine Hydrochloride
CAS: 7379-35-3 | C5H5Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7379-35-3
Molecular Formula:
C5H5Cl2N
Molecular Mass:
150.01 g/mol
Names and Synonyms:
4-Chloropyridine Hydrochloride
Pyridine, 4-chloro-, hydrochloride (1:1)
Pyridine, 4-chloro-, hydrochloride
TH 336N
TH 336
4-Chloropyridine hydrochloride
4-Chloropyridinium monohydrochloride
4-Chlorpyridinium hydrochloride
4-Chloropyridine-HCl
4-Chloropyridinium chloride
4-Chloropyridinium hydrochloride
Identifiers:
SMILES:
Cl.Clc1ccncc1
InChI:
InChI=1S/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H
Key Properties
Melting Point
223 °C
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 | 150.01 g/mol | CAS Common Chemistry |
| 150.008 g/mol | RDKit | |
| 148.97990452 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC=1C=CN=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XGAFCCUNHIMIRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 223 °C | CAS Common Chemistry |
| Name | 4-Chloropyridine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 2.1567999999999996 | RDKit |
| Molar Refractivity | 36.49500000000002 | RDKit |
