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Molecule
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
Identifiers
CAS Registry Number
555-60-2
SMILES
N#CC(C#N)=NNc1cccc(Cl)c1
InChI Key
UGTJLJZQQFGTJD-UHFFFAOYSA-N
InChI
InChI=1S/C9H5ClN4/c10-7-2-1-3-8(4-7)13-14-9(5-11)6-12/h1-4,13H
Names and Synonyms
- Carbonyl Cyanide M-Chlorophenyl Hydrazone Common Name
- Propanedinitrile, 2-[2-(3-chlorophenyl)hydrazinylidene]- Synonym
- Propanedinitrile, [(3-chlorophenyl)hydrazono]- Synonym
- Mesoxalonitrile, (m-chlorophenyl)hydrazone Synonym
- 2-[2-(3-Chlorophenyl)hydrazinylidene]propanedinitrile Synonym
- Carbonyl cyanide (3-chlorophenyl)hydrazone Synonym
- CCP Synonym
- CCCP Synonym
- Carbonyl cyanide (m-chlorophenyl)hydrazone Synonym
- [(3-Chlorophenyl)hydrazono]malononitrile Synonym
- 3-Chlorophenylhydrazonopropanedinitrile Synonym
- NSC 88124 Synonym
- 2-[(3-Chlorophenyl)hydrazinylidene]propanedinitrile Synonym
- 2-[(3-Chlorophenyl)-hydrazono]malononitrile Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.62 g/mol | CAS Common Chemistry |
| 204.617 g/mol | chempirical lib | |
| 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 |
| 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 |
| 2.1551 | RDKit | |
| Molar Refractivity | 53.735700000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 204.02027384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 204.62 g/mol. Edit any field — others recompute live.
