Back to Search
Carbonyl Cyanide M-Chlorophenyl Hydrazone
CAS: 555-60-2 | C9H5ClN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
555-60-2
Molecular Formula:
C9H5ClN4
Molecular Mass:
204.62 g/mol
Names and Synonyms:
Carbonyl Cyanide M-Chlorophenyl Hydrazone
Propanedinitrile, 2-[2-(3-chlorophenyl)hydrazinylidene]-
Propanedinitrile, [(3-chlorophenyl)hydrazono]-
Mesoxalonitrile, (m-chlorophenyl)hydrazone
2-[2-(3-Chlorophenyl)hydrazinylidene]propanedinitrile
Carbonyl cyanide (3-chlorophenyl)hydrazone
CCP
CCCP
Carbonyl cyanide (m-chlorophenyl)hydrazone
[(3-Chlorophenyl)hydrazono]malononitrile
3-Chlorophenylhydrazonopropanedinitrile
NSC 88124
2-[(3-Chlorophenyl)hydrazinylidene]propanedinitrile
2-[(3-Chlorophenyl)-hydrazono]malononitrile
Identifiers:
SMILES:
N#CC(C#N)=NNc1cccc(Cl)c1
InChI:
InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H
Key Properties
Melting Point
176 °C (decomp)
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 | 204.62 g/mol | CAS Common Chemistry |
| 204.02027384 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbonyl_cyanide_m-chlorophenyl_hydrazone | CAS Common Chemistry |
| Canonical SMILES | N#CC(C#N)=NNC=1C=CC=C(Cl)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H | CAS Common Chemistry |
| InChI Key | InChIKey=UGTJLJZQQFGTJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176 °C (decomp) | CAS Common Chemistry |
| Name | Carbonyl cyanide (m-chlorophenyl)hydrazone | CAS Common Chemistry |
| Carbonyl cyanide m-chlorophenyl hydrazone | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 71.97 Ų | RDKit |
| LogP | 2.1550599999999998 | RDKit |
| Molar Refractivity | 53.735700000000016 | RDKit |
