2-Butyn-1-ol


Chemical Name: 2-Butyn-1-ol
CAS Number: 764-01-2
Product Number: AG003GTW(AGN-PC-0C61WJ)
Synonyms:
MDL No:
Molecular Formula: C4H6O
Molecular Weight: 70.0898

Identification/Properties


Properties
MP:
−2.2 °C(lit.)
BP:
148°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.453(lit.)
Solubility:
Miscible with chloroform and methanol.
Computed Properties
Molecular Weight:
70.091g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
70.042g/mol
Monoisotopic Mass:
70.042g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
62.2
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
1987
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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