Carbonyl cyanide M-chlorophenyl hydrazone

C₉H₅ClN₄CAS 555-60-2204.62 g/mol

Open in Covalent MOL file

Aryl halide Hydrazone Nitrile Secondary amine

Properties

Molecular formula: C₉H₅ClN₄
Molar mass: 204.62 g/mol
Exact mass: 204.0203 Da
Melting point: 176 °C (decomposes)
logP: 2.16Crippen estimate
Polar surface area: 72.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled39.2% of notifiers
H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin93.2% of notifiers
H315 Causes skin irritation97.3% of notifiers
H319 Causes serious eye irritation97.3% of notifiers
H331 Toxic if inhaled93.2% of notifiers
H335 May cause respiratory irritation95.9% of notifiers

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

555-60-2

SMILES

N#CC(C#N)=NNc1cccc(Cl)c1

InChIKey

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

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Names and synonyms

13 names · show all

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

Work with Carbonyl cyanide M-chlorophenyl hydrazone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Esi-09263707-16-046 % similar 3-Chlorodiphenylamine101-17-746 % similar 3-Chloro-N-methylaniline7006-52-242 % similar 2-Chloro-N-(3-chlorophenyl)acetamide2564-05-840 % similar 3-Chlorophenylhydrazine hydrochloride2312-23-439 % similar N-(3-Chlorophenyl)thiourea4947-89-139 % similar 3-Chlorobenzonitrile766-84-738 % similar 2-((3-Chlorophenyl)amino)benzoic acid13278-36-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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