3-Fluorophenyl acetate

C₈H₇FO₂CAS 701-83-7154.14 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₇FO₂
Molar mass: 154.14 g/mol
Exact mass: 154.0430 Da
Boiling point: 77–78 °C (at 13 Torr)
logP: 1.75Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation97.5% of notifiers
H317 May cause an allergic skin reaction97.5% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

701-83-7

SMILES

CC(=O)Oc1cccc(F)c1

InChIKey

IAWZWMGUTKRLQB-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3

Weigh it out

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

Names and synonyms

6 names

Phenol, 3-fluoro-, 1-acetate
Phenol, m-fluoro-, acetate
Phenol, 3-fluoro-, acetate
Acetic acid 3-fluorophenyl ester
m-Fluorophenyl acetate
1-Acetoxy-3-fluorobenzene

Work with 3-Fluorophenyl acetate

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

1,3-Dihydroxybenzene diacetate108-58-775 % similar 4-Fluorophenyl acetate405-51-665 % similar 3-Methylphenyl acetate122-46-364 % similar Acetylresorcinol102-29-462 % similar Phenyl acetate122-79-260 % similar 1-[3-(Acetyloxy)phenyl]ethanone2454-35-560 % similar 3-(Acetyloxy)benzaldehyde34231-78-258 % similar 3-(Acetyloxy)benzoic acid6304-89-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 2-Fluoro-6-methoxybenzaldehyde146137-74-8 4'-Fluoro-2'-hydroxyacetophenone1481-27-2 Fluorophenylacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-3-methylbenzoic acid315-31-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook