Benzene, 1-(1,1-dimethylethyl)-4-ethynyl-


Chemical Name: Benzene, 1-(1,1-dimethylethyl)-4-ethynyl-
CAS Number: 772-38-3
Product Number: AG003D4G(AGN-PC-0KKLO8)
Synonyms:
MDL No:
Molecular Formula: C12H14
Molecular Weight: 158.2396

Identification/Properties


Properties
BP:
70 °C2 mm Hg(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.528-1.53
Computed Properties
Molecular Weight:
158.244g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
2
Exact Mass:
158.11g/mol
Monoisotopic Mass:
158.11g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
178
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#:
3082
Hazard Statements:
H319-H410
Precautionary Statements:
P273-P305+P351+P338
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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