1,2,4,5-Tetrafluoro-3-methylbenzene
Properties
- Molecular formula
- C7H4F4
- Molar mass
- 164.10 g/mol
- Exact mass
- 164.0249 Da
- Boiling point
- 125.5 °C
- logP
- 2.55Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
5230-78-4SMILES
Cc1c(F)c(F)cc(F)c1FInChIKey
POMGTQLCZJZYAM-UHFFFAOYSA-NInChI
InChI=1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzene, 1,2,4,5-tetrafluoro-3-methyl-
- Toluene, 2,3,5,6-tetrafluoro-
- 2,3,5,6-Tetrafluorotoluene
- NSC 97004
Work with 1,2,4,5-Tetrafluoro-3-methylbenzene
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
Pentafluorobenzene363-72-458 % similar
2,3,5,6-Tetrafluoro-P-xylene703-87-756 % similar
2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-155 % similar
2,4,5-Trifluoro-3-methylbenzoic acid112822-85-253 % similar
2-Methyl-3,4,6-trifluoro benzoic acid119916-22-253 % similar
Pentafluoromethylbenzene771-56-253 % similar
2,3,5,6-Tetrafluoroanisole2324-98-348 % similar
3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.