CAS RN: 868-85-9
Dimethyl Phosphite
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTD0786
- Purity/Analytical Methods: >98.0%(T)
868-85-9 / methoxyphosphonoyloxymethane
Basic Information
CAS
868-85-9
Multi CAS
Yes
Molecular Formula
C2H7O3P
Molecular Weight
110.050000
Exact Mass
110.013281
InChI
InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3
InChIKey
HZCDANOFLILNSA-UHFFFAOYSA-N
Physical Properties
Melting Point
29 °C
Boiling Point
338 to 340 °F at 760 mmHg (NTP, 1992)
170.5
171 °C
Density
1.2 (USCG, 1999) - Denser than water; will sink
1.2002 g/cu cm at 20 °C
Relative density (water = 1): 1.2
Physical Description
Dimethyl hydrogen phosphite is a colorless liquid. (USCG, 1999)
Liquid
Colorless liquid; [HSDB]
COLOURLESS LIQUID.
Appearance
Mobile, colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
23.02
TPSA
35.53
LogP / Solubility
WLOGP
0.67
MLOGP
0.58
XLogP3
-0.5
Consensus LogP
0.25
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Triisopropyl Phosphite
- CAS RN: 116-17-6
- Product Code: ICTT0610
- Purity/Analytical method: >95.0%(GC)
-
-
-
Diphenylphosphine
- CAS RN: 829-85-6
- Product Code: ICTD1020
- Purity/Analytical method: >90.0%(GC)
-
-
