5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile
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5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile
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CAS No:
120511-84-4
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Formula:
C15H17BrN2
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Chemical Name:
5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile
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Synonyms:
1,3-Benzenediacetonitrile,5-(bromomethyl)-α1,α1,α3,α3-tetramethyl-;1,3-Benzenediacetonitrile,5-(bromomethyl)-α,α,α′,α′-tetramethyl-;5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile;3,5-Bis(2-cyanoprop-2-yl)benzyl bromide;3,5-Bis(1-cyano-1-methylethyl)benzyl bromide;2,2′-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile);2-[3-(Bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile
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CAS No:
5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile Basic Attributes
305.21
305.21
601-717-7
DTXSID30468018
2926909090
Characteristics
47.6
3.7
Off-White Solid
1.276±0.06 g/cm3(Predicted)
98-100°C
380.0±37.0 °C(Predicted)
183.6±26.5 °C
1.544
0mmHg at 25°C
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 8 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile Use and Manufacturing
An impurity of Anastrozole (A637425) (impurity D).
Computed Properties
Molecular Weight:305.21
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:304.05751
Monoisotopic Mass:304.05751
Topological Polar Surface Area:47.6
Heavy Atom Count:18
Complexity:357
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile
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