Benzene, 1-chloro-2-ethynyl-


Chemical Name: Benzene, 1-chloro-2-ethynyl-
CAS Number: 873-31-4
Product Number: AG0032QL(AGN-PC-0JTBX2)
Synonyms:
MDL No:
Molecular Formula: C8H5Cl
Molecular Weight: 136.5783

Identification/Properties


Properties
BP:
82°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.5710(lit.)
Solubility:
Soluble in hexane.
Computed Properties
Molecular Weight:
136.578g/mol
XLogP3:
2.8
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:
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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