Leptophos

C₁₃H₁₀BrCl₂O₂PSCAS 21609-90-5412.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₀BrCl₂O₂PS
Molar mass: 412.06 g/mol
Exact mass: 409.8700 Da
Density: 1.53 g/mL (at 25 °C)
Melting point: 70.2–70.6 °C
Boiling point: 380 °C
Water solubility: 470 g/L
logP: 5.42Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H370 ** Causes damage to organsSpecific target organ toxicity, single exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 015-093-00-3), via PubChem.

Precautionary statements

P260, P264, P270, P273, P280, P301+P316, P302+P352, P308+P316, P317, P321, P330, P362+P364, P391, P405, P501

Identifiers

CAS number

21609-90-5

SMILES

COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1

InChIKey

CVRALZAYCYJELZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Phosphonothioic acid, P-phenyl-, O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
Phosphonothioic acid, phenyl-, O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
O-(4-Bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate
VCS 506
Velsicol VCS 506
Velsicol 506
Phosvel
K62-105
Fosvel
NK 711
Abar
Oleophosvel
MBCP
(±)-Leptophos

Work with Leptophos

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bromophos2104-96-362 % similar Bromophos-ethyl4824-78-649 % similar Fenchlorphos299-84-343 % similar 1-Bromo-2-chlorobenzene694-80-436 % similar 3-Bromo-4-chloroanisole2732-80-135 % similar 1-Bromo-2-chloro-4-methoxybenzene50638-46-535 % similar Dicapthon2463-84-533 % similar Trichloronate327-98-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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