4,4′-Difluorobiphenyl

C₁₂H₈F₂CAS 398-23-2190.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₈F₂
Molar mass: 190.19 g/mol
Exact mass: 190.0594 Da
Density: 1.328 g/mL (at 25 °C)
Melting point: 94.5 °C
Boiling point: 254.5 °C
logP: 3.63Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation90.8% of notifiers
H319 Causes serious eye irritation90.8% of notifiers
H335 May cause respiratory irritation89.5% of notifiers

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

398-23-2

SMILES

Fc1ccc(-c2ccc(F)cc2)cc1

InChIKey

PZDAAZQDQJGXSW-UHFFFAOYSA-N

InChI

InChI=1S/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names

4,4'-Difluorobiphenyl
4,4'-Difluoro-1,1'-biphenyl
4,4′-Difluoro-1,1′-biphenyl
1,1′-Biphenyl, 4,4′-difluoro-
Biphenyl, 4,4′-difluoro-
4,4′-Difluorodiphenyl
p,p′-Difluorobiphenyl
NSC 4173
1-Fluoro-4-(4-fluorophenyl)benzene

Reactions

4,4'-DIFLUOROBIPHENYL (Biphenyl, 4,4'-difluoro-)product

Work with 4,4′-Difluorobiphenyl

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

4-Fluorobiphenyl324-74-375 % similar 1,4-Difluorobenzene540-36-375 % similar 4′-Fluoro[1,1′-biphenyl]-4-amine324-93-667 % similar 4′-Fluoro[1,1′-biphenyl]-4-ol324-94-767 % similar 4-Bromo-4'-fluoro-1,1'-biphenyl398-21-067 % similar 4-(4-Fluorophenyl)phenylboronic acid140369-67-157 % similar 4'-Fluorobiphenyl-4-carbaldehyde60992-98-557 % similar Fluorobenzene462-06-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluoro-1,1'-biphenyl37847-52-2 2,2'-Difluoro-1,1'-biphenyl388-82-9 3,3'-Difluoro-1,1'-biphenyl396-64-5

Elsewhere

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