7-Cyanoindole
Properties
- Molecular formula
- C9H6N2
- Molar mass
- 142.16 g/mol
- Exact mass
- 142.0531 Da
- logP
- 2.04Crippen estimate
- Polar surface area
- 39.6 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed25% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H311 Toxic in contact with skin25% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H331 Toxic if inhaled25% of notifiers
- H332 Harmful if inhaled25% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
96631-87-7SMILES
C1=CC2=C(C(=C1)C#N)NC=C2InChIKey
NTUHBYLZRBVHRS-UHFFFAOYSA-NInChI
InChI=1S/C9H6N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,11HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1H-Indole-7-carbonitrile
Work with 7-Cyanoindole
Similar compounds
1-Naphthalenecarbonitrile86-53-350 % similar
7-Bromoindole51417-51-748 % similar
7-Chloroindole53924-05-348 % similar
7-Hydroxyindole2380-84-947 % similar
7-Fluoro-1H-indole387-44-047 % similar
7-Aminoindole5192-04-147 % similar
7-Methylindole933-67-547 % similar
Phthalonitrile91-15-646 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.