Benzene, 1-bromo-2-ethynyl-


Chemical Name: Benzene, 1-bromo-2-ethynyl-
CAS Number: 766-46-1
Product Number: AG00336T(AGN-PC-0JTLXU)
Synonyms:
MDL No:
Molecular Formula: C8H5Br
Molecular Weight: 181.0293

Identification/Properties


Properties
BP:
92-93°C at 20 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.595(lit.)
Computed Properties
Molecular Weight:
181.032g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
179.957g/mol
Monoisotopic Mass:
179.957g/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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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