3-Fluorophthalic anhydride

C₈H₃FO₃CAS 652-39-1166.11 g/mol

Open in Covalent MOL file

Acid anhydride Aryl halide

Properties

Molecular formula: C₈H₃FO₃
Molar mass: 166.11 g/mol
Exact mass: 166.0066 Da
Melting point: 123–125 °C
Boiling point: 220–225 °C (at 80 Torr)
logP: 1.14Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction98% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled16.3% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

652-39-1

SMILES

O=C1OC(=O)c2c(F)cccc21

InChIKey

WWJAZKZLSDRAIV-UHFFFAOYSA-N

InChI

InChI=1S/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H

Weigh it out

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

Names and synonyms

6 names

1,3-Isobenzofurandione, 4-fluoro-
Phthalic anhydride, 3-fluoro-
4-Fluoro-1,3-isobenzofurandione
3-Fluorophthalic acid anhydride
NSC 402996
4-Fluoroisobenzofuran-1,3-dione

Work with 3-Fluorophthalic anhydride

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

3,6-Difluorophthalic anhydride652-40-464 % similar 3-Chlorophthalic anhydride117-21-559 % similar 3-Iodophthalic anhydride28418-88-458 % similar 3-Hydroxyphthalic anhydride37418-88-558 % similar 3-Methylphthalic anhydride4792-30-758 % similar Methyl 2,6-difluorobenzoate13671-00-655 % similar Phthalic anhydride85-44-954 % similar 4,5-Difluorophthalic anhydride18959-30-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Fluorophthalic anhydride319-03-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook