Pentane, 1-bromo-4-methyl-


Chemical Name: Pentane, 1-bromo-4-methyl-
CAS Number: 626-88-0
Product Number: AG003E52(AGN-PC-0JL8ZM)
Synonyms:
MDL No:
Molecular Formula: C6H13Br
Molecular Weight: 165.0714

Identification/Properties


Properties
MP:
-44.22°C (estimate)
BP:
146°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.446(lit.)
Computed Properties
Molecular Weight:
165.074g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
3
Exact Mass:
164.02g/mol
Monoisotopic Mass:
164.02g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
33.2
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#:
1993
Hazard Statements:
H226-H302-H319-H411
Precautionary Statements:
P280-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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