chempirical

O-Chlorophenylcyanamide

C7H5ClN2CAS 45765-25-1152.58 g/mol

Open in Covalent MOL file
NHNCl
Aryl halideNitrileSecondary amine

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
logP
2.23Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

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

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
45765-25-1
SMILES
C1=CC=C(C(=C1)NC#N)Cl
InChIKey
PWZKESLISFPGHR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-6-3-1-2-4-7(6)10-5-9/h1-4,10H

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Names and synonyms

5 names
  • (2-Chlorophenyl)cyanamide
  • [(2-Chlorophenyl)amino]formonitrile
  • [(2-Chlorophenyl)amino]carbonitrile
  • 2-Chlorophenylcyanamide
  • (2-Chlorophenyl)-cyanamide

Reactions

Work with O-Chlorophenylcyanamide

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

2-Chloro-N-methylaniline932-32-150 % similar 2-Chlorophenylhydrazine hydrochloride41052-75-947 % similar 1,2-Dichlorobenzene95-50-143 % similar 2,6-Dichlorobenzonitrile1194-65-643 % similar 2-Chlorobenzonitrile873-32-541 % similar (2-Chlorophenyl)thiourea5344-82-141 % similar 2-Chloro-6-hydroxybenzonitrile89999-90-639 % similar 2-Chlorophenol95-57-839 % similar

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

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 4-Amino-3-chlorobenzonitrile21803-75-8 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9

Elsewhere

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