4-Fluorophthalic anhydride

C₈H₃FO₃CAS 319-03-9166.11 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: 76–78 °C
Boiling point: 260 °C (at 746 Torr)
logP: 1.14Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed86.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

319-03-9

SMILES

O=C1OC(=O)c2cc(F)ccc21

InChIKey

XVMKZAAFVWXIII-UHFFFAOYSA-N

InChI

InChI=1S/C8H3FO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)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, 5-fluoro-
Phthalic anhydride, 4-fluoro-
5-Fluoro-1,3-isobenzofurandione
NSC 42091
5-Fluoroisobenzofuran-1,3-dione
5-Fluoro-1,3-dihydro-2-benzofuran-1,3-dione

Work with 4-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

5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-361 % similar 4,5-Difluorophthalic anhydride18959-30-357 % similar 4,4'-Oxydiphthalic anhydride1823-59-257 % similar 4-Chlorophthalic anhydride118-45-655 % similar 4,4'-(1,4-Phenylenedioxy)bisphthalic Anhydride17828-53-455 % similar 4-Methylphthalic anhydride19438-61-055 % similar 4,4'-Carbonyldiphthalic anhydride2421-28-555 % similar 4-Hydroxyphthalic anhydride27550-59-055 % similar

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

Same formula

3-Fluorophthalic anhydride652-39-1

Elsewhere

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