Benzene, 1-chloro-4-ethynyl-


Chemical Name: Benzene, 1-chloro-4-ethynyl-
CAS Number: 873-73-4
Product Number: AG003L81(AGN-PC-0JL9HD)
Synonyms:
MDL No:
Molecular Formula: C7H17N3O
Molecular Weight: 159.2294

Identification/Properties


Properties
MP:
45-47 °C(lit.)
BP:
79-82 °C (23 mmHg)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
136.578g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
136.008g/mol
Monoisotopic Mass:
136.008g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
123
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#:
1325
Hazard Statements:
H228-H315-H319-H335
Precautionary Statements:
P210-P261
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


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