Acetonitrile, diethoxy-


Chemical Name: Acetonitrile, diethoxy-
CAS Number: 6136-93-2
Product Number: AG0034PS(AGN-PC-0JLSIP)
Synonyms:
MDL No:
Molecular Formula: C6H11NO2
Molecular Weight: 129.1570

Identification/Properties


Properties
MP:
-19- -18 °C(lit.);
BP:
167.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.4(lit.)
Computed Properties
Molecular Weight:
129.159g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
129.079g/mol
Monoisotopic Mass:
129.079g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
98.9
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#:
1993
Hazard Statements:
H226-H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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