6-Chloro-1-tetralone

C₁₀H₉ClOCAS 26673-31-4180.63 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₉ClO
Molar mass: 180.63 g/mol
Exact mass: 180.0342 Da
Melting point: 53 °C
Boiling point: 167–169 °C (at 18 Torr)
logP: 2.86Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H227 Combustible liquid25% of notifiers
H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

26673-31-4

SMILES

O=C1CCCc2cc(Cl)ccc21

InChIKey

WQKHERPPDYPMNX-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2

Weigh it out

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

Names and synonyms

5 names

1(2H)-Naphthalenone, 6-chloro-3,4-dihydro-
6-Chloro-3,4-dihydro-1(2H)-naphthalenone
6-Chloro-α-tetralone
6-Chloro-3,4-dihydro-2H-naphthalen-1-one
6-Chloro-1,2,3,4-tetrahydronaphthalen-1-one

Work with 6-Chloro-1-tetralone

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

5-Chloro-1-indanone42348-86-781 % similar 6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone3470-50-661 % similar 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one3470-53-961 % similar 6-Bromo-1-tetralone66361-67-961 % similar 6-Chloro-1-indanone14548-38-060 % similar 1-(2,4-Dichlorophenyl)-1-pentanone61023-66-359 % similar 6-Methoxy-1-tetralone1078-19-956 % similar 7-Chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one160129-45-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-2-tetralone17556-18-2 7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one26673-32-5 4-(4-Chlorophenyl)-3-buten-2-one3160-40-5 (4-Chlorophenyl)cyclopropylmethanone6640-25-1

Elsewhere

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