2,3,4,5,6-Pentafluorobenzeneacetic acid
Properties
- Molecular formula
- C8H3F5O2
- Molar mass
- 226.10 g/mol
- Exact mass
- 226.0053 Da
- Melting point
- 109 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 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
653-21-4SMILES
O=C(O)Cc1c(F)c(F)c(F)c(F)c1FInChIKey
LGCODSNZJOVMHV-UHFFFAOYSA-NInChI
InChI=1S/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzeneacetic acid, 2,3,4,5,6-pentafluoro-
- Acetic acid, (pentafluorophenyl)-
- (Pentafluorophenyl)acetic acid
- 2,3,4,5,6-Pentafluorophenylacetic acid
- 2-(Pentafluorophenyl)acetic acid
- 2-(2,3,4,5,6-Pentafluorophenyl)acetic acid
- 2-(Perfluorophenyl)acetic acid
Work with 2,3,4,5,6-Pentafluorobenzeneacetic acid
Similar compounds
2,3,6-Trifluorophenylacetic acid114152-23-760 % similar
3,4,5-Trifluorophenylacetic acid209991-62-853 % similar
2,6-Difluorobenzeneacetic acid85068-28-653 % similar
2,4,6-Trifluorobenzeneacetic acid209991-63-952 % similar
2-(2,3,4,5,6-Pentafluorophenoxy)acetic acid14892-14-950 % similar
2-(2,3,4-Trifluorophenyl)acetic acid243666-12-848 % similar
2-(4-Bromo-2,6-difluorophenyl)acetic acid537033-54-848 % similar
2,3-Difluorobenzeneacetic acid145689-41-447 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.