5-Chloroindoline

C8H8ClNCAS 25658-80-4153.61 g/mol

Open in Covalent MOL file
ClNH
Aryl halideSecondary amine

Properties

Molecular formula
C8H8ClN
Molar mass
153.61 g/mol
Exact mass
153.0345 Da
Boiling point
132–135 °C (at 20 Torr)
logP
2.31Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
25658-80-4
SMILES
Clc1ccc2c(c1)CCN2
InChIKey
YMCIVAPEOZDEGH-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole, 5-chloro-2,3-dihydro-
  • Indoline, 5-chloro-
  • 5-Chloro-2,3-dihydro-1H-indole
  • 5-Chloro-2,3-dihydroindole

Work with 5-Chloroindoline

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-Bromoindoline22190-33-655 % similar 5-Fluoroindoline2343-22-855 % similar 5-Methylindoline65826-95-155 % similar 5-(Trifluoromethyl)-2,3-dihydro-1H-indole162100-55-250 % similar 5-Methoxy-2,3-dihydro-1H-indole21857-45-450 % similar Indoline496-15-148 % similar 5-Nitroindoline32692-19-646 % similar 5-Chlorooxindole17630-75-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Ethynylaniline hydrochloride207226-02-6 4-Chloroindoline41910-64-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook