Bis(2,4-dichlorophenyl) chlorophosphate

C₁₂H₆Cl₅O₃PCAS 14254-41-2406.40 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₂H₆Cl₅O₃P
Molar mass: 406.40 g/mol
Exact mass: 403.8497 Da
logP: 7.10Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

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 39 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

14254-41-2

SMILES

C1=CC(=C(C=C1Cl)Cl)OP(=O)(OC2=C(C=C(C=C2)Cl)Cl)Cl

InChIKey

RHQSBXZVIMBYKW-UHFFFAOYSA-N

InChI

InChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H

Weigh it out

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Work with Bis(2,4-dichlorophenyl) chlorophosphate

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

2,4-Dichloroanisole553-82-255 % similar Dichlofenthion97-17-648 % similar Genite97-16-546 % similar 1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-446 % similar Triclosan3380-34-545 % similar 2-(2,4-Dichlorophenoxy)ethanol120-67-244 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-744 % similar o-Chlorophenyl dichlorophosphate15074-54-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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