3-Fluoro-4-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
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
- H302 Harmful if swallowed25% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H314 Causes severe skin burns and eye damage50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H318 Causes serious eye damage25% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled25% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
218632-01-0SMILES
C1=CC(=C(C=C1C#N)F)[N+](=O)[O-]InChIKey
OZXCOGPRBUSXLE-UHFFFAOYSA-NInChI
InChI=1S/C7H3FN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Fluoro-4-nitrobenzonitrile
Similar compounds
3,5-Difluoro-4-nitrobenzonitrile1123172-88-264 % similar
3-Methyl-4-nitrobenzonitrile96784-54-263 % similar
2,4-Difluoro-5-nitrobenzonitrile67152-20-961 % similar
3-Fluoro-4-nitrophenol394-41-259 % similar
4-Cyano-2-nitrophenol3272-08-059 % similar
4-Amino-3-nitrobenzonitrile6393-40-459 % similar
4-Bromo-3-nitrobenzonitrile89642-49-959 % similar
4-Methyl-3-nitrobenzonitrile939-79-759 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.