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Benzonitrile, 4-Hydrazinyl-, Hydrochloride (1:1)
CAS: 2863-98-1 | C7H8ClN3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2863-98-1
Molecular Formula:
C7H8ClN3
Molecular Mass:
169.62 g/mol
Names and Synonyms:
Benzonitrile, 4-Hydrazinyl-, Hydrochloride (1:1)
Benzonitrile, 4-hydrazinyl-, hydrochloride (1:1)
Benzonitrile, p-hydrazino-, monohydrochloride
Benzonitrile, 4-hydrazino-, monohydrochloride
Benzonitrile, p-hydrazino-, hydrochloride
(4-Cyanophenyl)hydrazine hydrochloride
4-Hydrazinobenzonitrile monohydrochloride
4-(Hydrazino)benzonitrile hydrochloride
p-Cyanophenylhydrazine hydrochloride
4-Hydrazinylbenzonitrile hydrochloride
Identifiers:
SMILES:
Cl.N#Cc1ccc(NN)cc1
InChI:
InChI=1S/C7H7N3.ClH/c8-5-6-1-3-7(10-9)4-2-6;/h1-4,10H,9H2;1H
Key Properties
Melting Point
240 °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 | 169.62 g/mol | CAS Common Chemistry |
| 169.61499999999998 g/mol | RDKit | |
| 169.040674936 g/mol | RDKit | |
| Canonical SMILES | Cl.N#CC1=CC=C(C=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H7N3.ClH/c8-5-6-1-3-7(10-9)4-2-6;/h1-4,10H,9H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=UXDLLFIRCVPPQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240 °C | CAS Common Chemistry |
| Name | Benzonitrile, 4-hydrazinyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 61.84 Ų | RDKit |
| LogP | 1.2656799999999997 | RDKit |
| Molar Refractivity | 46.21510000000001 | RDKit |
