Benzenamine, 2-ethynyl-


Chemical Name: Benzenamine, 2-ethynyl-
CAS Number: 52670-38-9
Product Number: AG00DFMS(AGN-PC-0L6A2G)
Synonyms:
MDL No:
Molecular Formula: C8H7N
Molecular Weight: 117.1479

Identification/Properties


Properties
BP:
229.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.6200(lit.)
Computed Properties
Molecular Weight:
117.151g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
117.058g/mol
Monoisotopic Mass:
117.058g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
131
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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