5-Chloroisatin
Properties
- Molecular formula
- C8H4ClNO2
- Molar mass
- 181.57 g/mol
- Exact mass
- 180.9931 Da
- Melting point
- 207 °C
- logP
- 1.47Crippen estimate
- Polar surface area
- 46.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation97.7% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 43 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
17630-76-1SMILES
O=C1Nc2ccc(Cl)cc2C1=OInChIKey
XHDJYQWGFIBCEP-UHFFFAOYSA-NInChI
InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1H-Indole-2,3-dione, 5-chloro-
- Indole-2,3-dione, 5-chloro-
- Isatin, 5-chloro-
- 5-Chloro-1H-indole-2,3-dione
- 5-Chloro-2,3-indoledione
- 5-Chloro-2,3-indolinedione
- NSC 135811
Work with 5-Chloroisatin
Similar compounds
5-Iodoisatin20780-76-160 % similar
5-Fluoroisatin443-69-660 % similar
5-Methylisatin608-05-960 % similar
5-Bromoisatin87-48-960 % similar
5-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione345-32-457 % similar
Isatin91-56-556 % similar
5-Methoxyisatin39755-95-855 % similar
5,7-Dichloroisatin6374-92-154 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.