4-Bromo-3,3,4,4-tetrafluoro-1-butene
Properties
- Molecular formula
- C4H3BrF4
- Molar mass
- 206.97 g/mol
- Exact mass
- 205.9354 Da
- Density
- 1.537 g/mL (at 25 °C)
- Boiling point
- 42 °C
- logP
- 2.80Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor10% of notifiers
- H315 Causes skin irritation40% of notifiers
- H319 Causes serious eye irritation60% of notifiers
- H335 May cause respiratory irritation50% of notifiers
- H336 May cause drowsiness or dizziness20% of notifiers
- H412 Harmful to aquatic life with long lasting effects20% of notifiers
Aggregated from 10 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, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
18599-22-9SMILES
C=CC(F)(F)C(F)(F)BrInChIKey
GVCWGFZDSIWLMO-UHFFFAOYSA-NInChI
InChI=1S/C4H3BrF4/c1-2-3(6,7)4(5,8)9/h2H,1H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- 1-Butene, 4-bromo-3,3,4,4-tetrafluoro-
Work with 4-Bromo-3,3,4,4-tetrafluoro-1-butene
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-Bromo-2-chloro-1,1,2-trifluoro-3-butene374-25-450 % similar
3,3,4,4,5,5,6,6-Octafluoroocta-1,7-diene678-65-950 % similar
(Perfluorobutyl)ethylene19430-93-448 % similar
Dodecafluoro-1,9-decadiene1800-91-548 % similar
1,8-Divinylperfluorooctane35192-44-048 % similar
Heptadecafluoro-1-decene21652-58-446 % similar
(Perfluorohexyl)ethylene25291-17-246 % similar
1H,1H,2H-Perfluoro-1-dodecene30389-25-446 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.