3,6-Difluorophthalic anhydride

C₈H₂F₂O₃CAS 652-40-4184.10 g/mol

Open in Covalent MOL file

Acid anhydride Aryl halide

Properties

Molecular formula: C₈H₂F₂O₃
Molar mass: 184.10 g/mol
Exact mass: 183.9972 Da
logP: 1.28Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 46 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

652-40-4

SMILES

C1=CC(=C2C(=C1F)C(=O)OC2=O)F

InChIKey

AVLRPSLTCCWJKC-UHFFFAOYSA-N

InChI

InChI=1S/C8H2F2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H

Weigh it out

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

Work with 3,6-Difluorophthalic 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-Fluorophthalic anhydride652-39-164 % similar Tetrafluorophthalic anhydride652-12-052 % similar Methyl 2,6-difluorobenzoate13671-00-650 % similar 3,6-Dichlorophthalic anhydride4466-59-548 % similar 3,6-Difluorophthalic acid651-97-848 % similar 1,4-Difluoroanthraquinone28736-42-745 % similar 2,3,6-Trifluorobenzamide207986-22-943 % similar Tetraphenylphthalic anhydride4741-53-143 % similar

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

Same formula

4,5-Difluorophthalic anhydride18959-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook