Phosphonic acid, (cyanomethyl)-, diethyl ester


Chemical Name: Phosphonic acid, (cyanomethyl)-, diethyl ester
CAS Number: 2537-48-6
Product Number: AG0034Q8(AGN-PC-0JLPIM)
Synonyms:
MDL No:
Molecular Formula: C6H12NO3P
Molecular Weight: 177.1381

Identification/Properties


Properties
BP:
101-102°C at 0.4 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.434(lit.)
Computed Properties
Molecular Weight:
177.14g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
177.055g/mol
Monoisotopic Mass:
177.055g/mol
Topological Polar Surface Area:
59.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
185
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3278
Hazard Statements:
H315-H319-H335-H301+H311+H331
Precautionary Statements:
P280-P302+P352-P332+P313-P337+P313-P261-P301+P312
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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