5-Fluoro-2-nitrobenzonitrile
Properties
- Molecular formula
- C7H3FN2O2
- Molar mass
- 166.11 g/mol
- Exact mass
- 166.0179 Da
- logP
- 1.61Crippen estimate
- Polar surface area
- 66.9 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed12.5% of notifiers
- H302 Harmful if swallowed87.5% of notifiers
- H311 Toxic in contact with skin62.5% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled12.5% of notifiers
- H332 Harmful if inhaled75% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 8 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
50594-78-0SMILES
C1=CC(=C(C=C1F)C#N)[N+](=O)[O-]InChIKey
VCEQYKYTIDJWTD-UHFFFAOYSA-NInChI
InChI=1S/C7H3FN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Fluoro-2-nitrobenzonitrile
Similar compounds
4-Fluoro-1,2-dinitrobenzene364-53-464 % similar
5-Chloro-2-nitrobenzonitrile34662-31-263 % similar
2-Nitrobenzonitrile612-24-860 % similar
2,4-Difluoronitrobenzene446-35-558 % similar
2,4-Difluoro-5-nitrobenzonitrile67152-20-956 % similar
2,5-Difluoronitrobenzene364-74-956 % similar
2-Chloro-4-fluoro-1-nitrobenzene2106-50-555 % similar
5-Fluoro-2-nitrobenzenamine2369-11-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.