2,3,6-Trifluorophenol
Properties
- Molecular formula
- C6H3F3O
- Molar mass
- 148.08 g/mol
- Exact mass
- 148.0136 Da
- logP
- 1.81Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H228 Flammable solid89.4% of notifiers
- H302 Harmful if swallowed97.9% of notifiers
- H312 Harmful in contact with skin97.9% of notifiers
- H314 Causes severe skin burns and eye damage10.6% of notifiers
- H315 Causes skin irritation89.4% of notifiers
- H319 Causes serious eye irritation89.4% of notifiers
- H332 Harmful if inhaled89.4% of notifiers
- H335 May cause respiratory irritation89.4% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, P501
Identifiers
CAS number
113798-74-6SMILES
C1=CC(=C(C(=C1F)O)F)FInChIKey
QSFGUSFDWCVXNR-UHFFFAOYSA-NInChI
InChI=1S/C6H3F3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,3,6-Trifluorophenol
Similar compounds
2,3,5,6-Tetrafluorophenol769-39-159 % similar
2-Chloro-3,6-difluorophenol261762-50-958 % similar
1,2,3,4-Tetrafluorobenzene551-62-258 % similar
2,6-Difluorophenol28177-48-255 % similar
3,4-Difluoro-2-hydroxybenzoic acid189283-51-053 % similar
2,3-Difluoro-6-nitrophenol82419-26-952 % similar
1-Bromo-2,3,4-trifluorobenzene176317-02-548 % similar
3,6-Difluoro-2-hydroxybenzaldehyde502762-92-746 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.