2-Ethylbenzonitrile


Chemical Name: 2-Ethylbenzonitrile
CAS Number: 34136-59-9
Product Number: AG003H7I(AGN-PC-0WBOD4)
Synonyms:
MDL No: MFCD00045597
Molecular Formula: C9H9N
Molecular Weight: 131.1745

Identification/Properties


Properties
MP:
51.75°C (estimate)
BP:
94-95°C at 12 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.523(lit.)
Computed Properties
Molecular Weight:
131.178g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
131.073g/mol
Monoisotopic Mass:
131.073g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
142
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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