1,2-Bis(dimethoxyphosphoryl)benzene

C₁₀H₁₆O₆P₂CAS 15104-46-8294.18 g/mol

Open in Covalent MOL file

Phosphonate

Properties

Molecular formula: C₁₀H₁₆O₆P₂
Molar mass: 294.18 g/mol
Exact mass: 294.0422 Da
logP: 1.91Crippen estimate
Polar surface area: 71.1 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

15104-46-8

SMILES

COP(=O)(C1=CC=CC=C1P(=O)(OC)OC)OC

InChIKey

TUKTVDDATWNXSN-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O6P2/c1-13-17(11,14-2)9-7-5-6-8-10(9)18(12,15-3)16-4/h5-8H,1-4H3

Weigh it out

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Work with 1,2-Bis(dimethoxyphosphoryl)benzene

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

Dimethyl P-phenylphosphonate2240-41-764 % similar Dimethyl P-(phenylmethyl)phosphonate773-47-742 % similar Diethyl phenylphosphonate1754-49-039 % similar 3-Oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid61260-15-936 % similar (2-Aminophenyl)dimethylphosphine oxide1197953-47-134 % similar 4-Methoxyphenylphosphonic acid diethyl ester3762-33-233 % similar Dimethyl(3-phenoxy-2-oxopropyl)phosphonate40665-68-733 % similar Dimethyl (2-oxo-4-phenylbutyl)phosphonate41162-19-033 % similar

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

Elsewhere

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