3-Iodobenzonitrile
Properties
- Molecular formula
- C7H4IN
- Molar mass
- 229.02 g/mol
- Exact mass
- 228.9388 Da
- logP
- 2.16Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed66.7% of notifiers
- H302 Harmful if swallowed22.2% of notifiers
- H311 Toxic in contact with skin11.1% of notifiers
- H312 Harmful in contact with skin77.8% of notifiers
- H315 Causes skin irritation88.9% of notifiers
- H319 Causes serious eye irritation88.9% of notifiers
- H331 Toxic if inhaled11.1% of notifiers
- H332 Harmful if inhaled77.8% of notifiers
- H335 May cause respiratory irritation77.8% of notifiers
Aggregated from 9 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
69113-59-3SMILES
C1=CC(=CC(=C1)I)C#NInChIKey
BGARPMGQRREXLN-UHFFFAOYSA-NInChI
InChI=1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Iodobenzonitrile
Similar compounds
Isophthalonitrile626-17-565 % similar
3-Fluorobenzonitrile403-54-354 % similar
3-Chlorobenzonitrile766-84-754 % similar
3-Cyanophenol873-62-154 % similar
1,3-Diiodobenzene626-00-652 % similar
3-Aminobenzonitrile2237-30-152 % similar
3-Methylbenzonitrile620-22-452 % similar
3-Bromobenzonitrile6952-59-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.