2-Fluorobiphenyl
Properties
- Molecular formula
- C12H9F
- Molar mass
- 172.20 g/mol
- Exact mass
- 172.0688 Da
- Density
- 1.2452 g/mL (at 25 °C)
- Melting point
- 73.5 °C
- Boiling point
- 248 °C
- logP
- 3.49Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed14.3% of notifiers
- H315 Causes skin irritation71.4% of notifiers
- H318 Causes serious eye damage14.3% of notifiers
- H319 Causes serious eye irritation57.1% of notifiers
- H335 May cause respiratory irritation71.4% of notifiers
- H400 Very toxic to aquatic life28.6% of notifiers
- H410 Very toxic to aquatic life with long lasting effects14.3% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
321-60-8SMILES
Fc1ccccc1-c1ccccc1InChIKey
KLECYOQFQXJYBC-UHFFFAOYSA-NInChI
InChI=1S/C12H9F/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1,1′-Biphenyl, 2-fluoro-
- Biphenyl, 2-fluoro-
- 2-Fluoro-1,1′-biphenyl
- o-Fluorodiphenyl
- NSC 10366
- 1-Fluoro-2-phenylbenzene
Work with 2-Fluorobiphenyl
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2'-Difluoro-1,1'-biphenyl388-82-968 % similar
O-Terphenyl84-15-158 % similar
2,4-Difluoro-1,1'-biphenyl37847-52-258 % similar
2'-Fluorobiphenyl-4-carbaldehyde57592-42-457 % similar
4-Bromo-2-fluoro-1,1′-biphenyl41604-19-754 % similar
1,2-Difluorobenzene367-11-353 % similar
2'-Fluorobiphenyl-4-carboxylic acid365-12-852 % similar
3-(2-Fluorophenyl)benzaldehyde676348-33-752 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.