2-Fluoro-5-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
Warning
- H302 Harmful if swallowed95.8% of notifiers
- H312 Harmful in contact with skin95.8% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled95.8% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
17417-09-3SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C#N)FInChIKey
YLACBMHBZVYOAP-UHFFFAOYSA-NInChI
InChI=1S/C7H3FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Fluoro-5-nitrobenzonitrile
Similar compounds
4-Nitrophthalonitrile31643-49-971 % similar
2-Bromo-5-nitrobenzonitrile134604-07-263 % similar
2-Chloro-5-nitrobenzonitrile16588-02-663 % similar
2-Cyano-4-nitroaniline17420-30-363 % similar
2-Methyl-5-nitrobenzonitrile939-83-363 % similar
3,4-Difluoronitrobenzene369-34-662 % similar
2,4-Difluoro-5-nitrobenzonitrile67152-20-961 % similar
2-Chloro-4-nitrobenzonitrile28163-00-059 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.