P-Phenylphosphonothioic dichloride

C₆H₅Cl₂PSCAS 3497-00-5211.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅Cl₂PS
Molar mass: 211.04 g/mol
Exact mass: 209.9227 Da
Density: 1.4042 g/mL (at 20 °C)
Melting point: 76–77 °C
Boiling point: 95–110 °C (at NaN Torr)
logP: 3.10Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals100% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled97.5% of notifiers
H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P390, P405, P406, P501

Identifiers

CAS number

3497-00-5

SMILES

S=P(Cl)(Cl)c1ccccc1

InChIKey

SXIWNIQDOJKDGB-UHFFFAOYSA-N

InChI

InChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

12 names

Phosphonothioic dichloride, P-phenyl-
Phosphonothioic dichloride, phenyl-
Phenylthiophosphonyl dichloride
Phenylphosphonothioic dichloride
Phenylphosphonothioyl dichloride
Phenylthionophosphonic dichloride
Dichlorophenylphosphine sulfide
Phenylphosphonothioic chloride
Phenylthiophosphonic dichloride
Phenylphosphorus thiodichloride
Phenylphosphonothionodichloridic acid
NSC 62217

Work with P-Phenylphosphonothioic dichloride

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

Triphenylphosphine sulfide3878-45-350 % similar Diphenylphosphinic chloride1499-21-444 % similar Phenylphosphonic dichloride824-72-644 % similar Dichloromethylidene(triphenyl)-lambda5-phosphane6779-08-438 % similar Triphenylphosphine oxide791-28-638 % similar 2-(Triphenylphosphoranylidene)acetonitrile16640-68-936 % similar Phenylphosphonic acid1571-33-133 % similar Diphenylphosphinic acid1707-03-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook