3,3'-Difluoro-1,1'-biphenyl
Properties
- Molecular formula
- C12H8F2
- Molar mass
- 190.19 g/mol
- Exact mass
- 190.0594 Da
- Density
- 1.372 g/mL (at −10 °C)
- Melting point
- 7–8 °C
- Boiling point
- 130 °C
- logP
- 3.63Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed12.5% of notifiers
- H312 Harmful in contact with skin12.5% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled12.5% of notifiers
- H335 May cause respiratory irritation37.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects62.5% of notifiers
Aggregated from 8 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
396-64-5SMILES
Fc1cccc(-c2cccc(F)c2)c1InChIKey
GAYJHUJLHJWCTH-UHFFFAOYSA-NInChI
InChI=1S/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 3,3′-Difluoro-1,1′-biphenyl
- 1,1′-Biphenyl, 3,3′-difluoro-
- Biphenyl, 3,3′-difluoro-
- 3,3′-Difluorobiphenyl
- m,m′-Difluorobiphenyl
- 3,3′-Difluorodiphenyl
- 1-Fluoro-3-(3-fluorophenyl)benzene
Work with 3,3'-Difluoro-1,1'-biphenyl
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
1,3-Difluorobenzene372-18-969 % similar
3-(3-Fluorophenyl)benzaldehyde400750-09-660 % similar
3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-258 % similar
3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-354 % similar
1-Chloro-3-fluorobenzene625-98-952 % similar
3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid1841-58-352 % similar
4'-Fluoro(1,1'-biphenyl)-3-amine10540-45-150 % similar
1-Bromo-3-fluorobenzene1073-06-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.