1-Butyne, 3-chloro-3-methyl-


Chemical Name: 1-Butyne, 3-chloro-3-methyl-
CAS Number: 1111-97-3
Product Number: AG0033NK(AGN-PC-0JL9UX)
Synonyms:
MDL No:
Molecular Formula: C5H7Cl
Molecular Weight: 102.5621

Identification/Properties


Properties
MP:
−61 °C(lit.)
BP:
73-75°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.418(lit.)
Computed Properties
Molecular Weight:
102.561g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
0
Exact Mass:
102.024g/mol
Monoisotopic Mass:
102.024g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
83.4
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


NMR Spectrum


Other Analytical Data


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