Benzene, 1-(bromomethyl)-3,5-dimethyl-


Chemical Name: Benzene, 1-(bromomethyl)-3,5-dimethyl-
CAS Number: 27129-86-8
Product Number: AG00I559(AGN-PC-0JMRXF)
Synonyms:
MDL No: MFCD00013539
Molecular Formula: C9H11Br
Molecular Weight: 199.0876

Identification/Properties


Properties
MP:
36-40 °C
BP:
101-103°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5482 (estimate)
Computed Properties
Molecular Weight:
199.091g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
198.004g/mol
Monoisotopic Mass:
198.004g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
90.9
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#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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