Chlorophacinone

C₂₃H₁₅ClO₃CAS 3691-35-8374.82 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₂₃H₁₅ClO₃
Molar mass: 374.82 g/mol
Exact mass: 374.0710 Da
Density: 1.43 g/mL
Melting point: 138 °C
pKa: 3.4 (25 °C)
Water solubility: 100 mg/L (20 °C)
logP: 4.74Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H310 Fatal in contact with skinAcute toxicity, dermal
H330 Fatal if inhaledAcute toxicity, inhalation
H360D May damage the unborn childReproductive toxicity
H372 Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3691-35-8

SMILES

O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1

InChIKey

UDHXJZHVNHGCEC-UHFFFAOYSA-N

InChI

InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

22 names · show all

Drat
1H-Indene-1,3(2H)-dione, 2-[2-(4-chlorophenyl)-2-phenylacetyl]-
1,3-Indandione, 2-[(p-chlorophenyl)phenylacetyl]-
1H-Indene-1,3(2H)-dione, 2-[(4-chlorophenyl)phenylacetyl]-
2-[2-(4-Chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione
LM 91
2-[2-Phenyl-2-(4-chlorophenyl)acetyl]-1,3-indandione
2-Acetyl-2-(p-chlorophenyl)-2-phenylindan-1,3-dione
Chlorphacinone
Raticide-caid
2-Phenyl-p-chlorophenylacetyl-1,3-indandione
2-[(p-Chlorophenyl)phenylacetyl]-1,3-indandione
Chlorphenacone
Chlorodiphacinone
Caid
Ratindan 3
Rozol
Liphadione
Chlorophacinon
Redentin
Raticide
Kaid

Work with Chlorophacinone

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

Diphenadione82-66-679 % similar Phenindione83-12-546 % similar 2-Benzoyl-1H-indene-1,3(2H)-dione1785-95-145 % similar 4-Chlorobenzhydryl chloride134-83-842 % similar 4-Chlorobenzhydrol119-56-241 % similar 2,4'-Dichlorobenzophenone85-29-040 % similar Diphenylacetyl chloride1871-76-738 % similar 4-Chlorobenzhydrylamine hydrochloride5267-39-038 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia