Benzeneacetonitrile, 4-ethynyl-


Chemical Name: Benzeneacetonitrile, 4-ethynyl-
CAS Number: 351002-90-9
Product Number: AG003BVP(AGN-PC-00SFKS)
Synonyms:
MDL No:
Molecular Formula: C10H7N
Molecular Weight: 141.1693

Identification/Properties


Properties
BP:
259℃
Storage:
Keep in dry area;-10 ℃;
Form:
Liquid
Refractive Index:
n20/D 1.5630(lit.)
Computed Properties
Molecular Weight:
141.173g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
141.058g/mol
Monoisotopic Mass:
141.058g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
204
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#:
N/A
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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