Bis(1-methylethyl) phosphorochloridate

C6H14ClO3PCAS 2574-25-6200.60 g/mol

Open in Covalent MOL file
OPOClO

Properties

Molecular formula
C6H14ClO3P
Molar mass
200.60 g/mol
Exact mass
200.0369 Da
Boiling point
95 °C (at 14 Torr)
logP
3.18Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

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

Precautionary statements

P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
2574-25-6
SMILES
CC(C)OP(=O)(Cl)OC(C)C
InChIKey
GUFGWNUUDBGEGH-UHFFFAOYSA-N
InChI
InChI=1S/C6H14ClO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

9 names
  • Phosphorochloridic acid, bis(1-methylethyl) ester
  • Phosphorochloridic acid, diisopropyl ester
  • Isopropyl phosphorochloridate
  • Diisopropyl phosphorochloridate
  • Isopropyl phosphorochloridate ((C3H7O)2ClPO)
  • Diisopropyl chlorophosphate
  • (Chlorodiisopropoxy)phosphine oxide
  • Diisopropyl phosphoryl chloride
  • 2-[Chloro(propan-2-yloxy)phosphoryl]oxypropane

Work with Bis(1-methylethyl) phosphorochloridate

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

Diisopropyl methylphosphonate1445-75-646 % similar Tetraisopropyl methylenediphosphonate1660-95-344 % similar Diisopropyl fluorophosphate55-91-444 % similar Dimethyl phosphorochloridate813-77-443 % similar Diethyl phosphorochloridate814-49-338 % similar 2-Chloro-2-oxo-1,3,2-dioxaphospholane6609-64-938 % similar Fosfomycin23155-02-431 % similar Tris(2-chloroisopropyl) phosphate13674-84-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook