3-(2-Chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-oxide

Base Information

Chemical Name:3-(2-Chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-oxide
CAS No.:158401-52-6
Molecular Formula:C₇H₁₆ClN₂O₃P
Molecular Weight:242.642
Hs Code.:2934990002
UNII:782QH86XIH
DSSTox Substance ID:DTXSID00166418
Nikkaji Number:J629.646G,J3.396.033F
Wikidata:Q83035603
ChEMBL ID:CHEMBL129254
Mol file:158401-52-6.mol

Synonyms:158401-52-6;3-(2-Chloroethyl)octahydro-2-hydroxy-1,3,6,2-oxadiazaphosphonine 2-Oxide;3-(2-Chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-oxide;782QH86XIH;3-(2-chloroethyl)-2-hydroxy-1,3,6,2lambda5-oxadiazaphosphonane 2-oxide;1,3,6,2-Oxadiazaphosphonine, octahydro-3-(2-chloroethyl)-2-hydroxy-, 2-oxide;Octahydro-3-(2-chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonine 2-oxide;3-(2-Chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane2-oxide;3-(2-Chloroethyl)-2-oxo-2-hydroxy-1,3,6,2-oxadiazaphosphonane;Cyclophosphamide Monochloro Impurity;C7H16ClN2O3P;UNII-782QH86XIH;CHEMBL129254;SCHEMBL17162013;DTXSID00166418;SIMWMEHPUXRDQD-UHFFFAOYSA-N;C7-H16-Cl-N2-O3-P;Cyclophosphamide Related Compound B;MFCD01755255;AKOS037647817;AS-74900;LS-98847;FT-0664692;W18286;J-009498;3-(2-chloroethyl)-2-hydroxy-1,3,6,2|E?-oxadiazaphosphonan-2-one;2-Hydroxy-3-(2-chloroethyl)-1-oxa-2-phospha-3,6-diazacyclononane 2-oxide;3-(2-CHLOROETHYL)-2-HYDROXY-1,3,6,2??-OXADIAZAPHOSPHONAN-2-ONE;1,3,6,2-OXADIAZAPHOSPHONINE, 3-(2-CHLOROETHYL)OCTAHYDRO-2-HYDROXY-, 2-OXIDE

Suppliers and Price of 3-(2-Chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-oxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(2-Chloroethyl)octahydro-2-hydroxy-1,3,6,2-oxadiazaphosphonane2-Oxide
100mg
$ 160.00

Medical Isotopes, Inc.
3-(2-Chloroethyl)octahydro-2-hydroxy-1,3,6,2-oxadiazaphosphonine2-Oxide
250 mg
$ 640.00

American Custom Chemicals Corporation
CYCLOPHOSPHAMIDE IMPURITY B 95.00%
5MG
$ 500.95

Total 11 raw suppliers

Chemical Property of 3-(2-Chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-oxide

Chemical Property:

Vapor Pressure:1.6E-06mmHg at 25°C
Melting Point:>190°C (dec.)
Boiling Point:371°C at 760 mmHg
PKA:2.21±0.20(Predicted)
Flash Point:178.2°C
PSA：71.61000
Density:1.33g/cm³
LogP:0.90420
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Water (Slightly)
XLogP3:-2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:242.0587071
Heavy Atom Count:14
Complexity:217

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Chloroethyl)octahydro-2-hydroxy-1,3,6,2-oxadiazaphosphonane2-Oxide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNCCN(P(=O)(OC1)O)CCCl
Uses A metabolite of Cyclophosphamide (C988580). Cyclophosphamide Impurity B A metabolite of Cyclophosphamide (C988580).

Technology Process of 3-(2-Chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-oxide

There total 3 articles about 3-(2-Chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%