2,3,5,6-Tetrafluoro-P-xylene

C8H6F4CAS 703-87-7178.13 g/mol

Open in Covalent MOL file
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Aryl halide

Properties

Molecular formula
C8H6F4
Molar mass
178.13 g/mol
Exact mass
178.0406 Da
logP
2.86Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number
703-87-7
SMILES
CC1=C(C(=C(C(=C1F)F)C)F)F
InChIKey
IWKPBYPUIPVYNZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3

Weigh it out

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

Work with 2,3,5,6-Tetrafluoro-P-xylene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentafluoromethylbenzene771-56-292 % similar 4,4'-Dimethyloctafluorobiphenyl26475-18-379 % similar 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-456 % similar 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol79538-03-755 % similar 1-Bromomethyl-4-methyl-2,3,5,6-tetrafluorobenzene92814-00-155 % similar 2,3,5,6-Tetrafluoro-4-methylbenzoic acid652-32-448 % similar Hexafluorobenzene392-56-342 % similar Hexamethylbenzene87-85-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Bis(difluoromethyl)benzene369-54-0 4-Fluoro-2-methyl-1-(trifluoromethyl)benzene80245-26-7

Elsewhere

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