5-Chloro-1-indanone

C₉H₇ClOCAS 42348-86-7166.60 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₇ClO
Molar mass: 166.60 g/mol
Exact mass: 166.0185 Da
Melting point: 96–97 °C
Boiling point: 150 °C (at 0.2 Torr)
logP: 2.47Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed83.7% of notifiers
H312 Harmful in contact with skin83.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled83.7% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

42348-86-7

SMILES

O=C1CCc2cc(Cl)ccc21

InChIKey

MEDSHTHCZIOVPU-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

Weigh it out

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

Names and synonyms

4 names

1H-Inden-1-one, 5-chloro-2,3-dihydro-
1-Indanone, 5-chloro-
5-Chloro-2,3-dihydro-1H-inden-1-one
5-Chloro-2,3-dihydroinden-1-one

Work with 5-Chloro-1-indanone

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

6-Chloro-1-tetralone26673-31-481 % similar 7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one26673-32-560 % similar 5-Bromo-1-indanone34598-49-759 % similar 5-Hydroxy-1-indanone3470-49-359 % similar 5-Amino-2,3-dihydro-1H-inden-1-one3470-54-059 % similar 5-Methyl-1-indanone4593-38-859 % similar 5-Iodo-1-indanone511533-38-359 % similar 5-Fluoro-1-indanone700-84-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cinnamoyl chloride102-92-1 6-Chloro-1-indanone14548-38-0 4-Chloroindan-1-one15115-59-0 7-Chloro-2,3-dihydro-1H-inden-1-one34911-25-6 3-(4-Chloro-phenyl)-prop-2-yn-1-ol37614-57-6 4-Chlorocinnamaldehyde49678-02-6 3-Chlorocinnamaldehyde56578-37-1

Elsewhere

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