2-(2,3,4,5,6-Pentafluorophenoxy)acetyl chloride

C₈H₂ClF₅O₂CAS 55502-53-9260.54 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₂ClF₅O₂
Molar mass: 260.54 g/mol
Exact mass: 259.9663 Da
logP: 2.53Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage80% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

55502-53-9

SMILES

O=C(Cl)COc1c(F)c(F)c(F)c(F)c1F

InChIKey

WQLJMPAQIWVNGS-UHFFFAOYSA-N

InChI

InChI=1S/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2

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

Names and synonyms

5 names

Acetyl chloride, 2-(2,3,4,5,6-pentafluorophenoxy)-
Acetyl chloride, (pentafluorophenoxy)-
(Pentafluorophenoxy)acetyl chloride
NSC 97008
2-(Perfluorophenoxy)acetyl chloride

Work with 2-(2,3,4,5,6-Pentafluorophenoxy)acetyl chloride

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

2-(2,3,4,5,6-Pentafluorophenoxy)acetic acid14892-14-955 % similar 2-Phenoxyacetyl chloride701-99-545 % similar Bis(pentafluorophenyl) oxalate16536-48-440 % similar Methoxyacetyl chloride38870-89-240 % similar Dipentafluorophenylcarbonate59483-84-040 % similar 2-Ethoxyacetyl chloride14077-58-838 % similar 2-Pentafluorophenoxyethanol2192-55-438 % similar 2-(Acetyloxy)acetyl chloride13831-31-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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