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


Chemical Name: Benzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)-
CAS Number: 18880-00-7
Product Number: AG002HC2(AGN-PC-0JLX26)
Synonyms:
MDL No: MFCD00000180
Molecular Formula: C11H15Br
Molecular Weight: 227.1408

Identification/Properties


Properties
MP:
8-12 °C(lit.)
BP:
270.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.545(lit.)
Computed Properties
Molecular Weight:
227.145g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
2
Exact Mass:
226.036g/mol
Monoisotopic Mass:
226.036g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
126
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#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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