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Structure

Benzeneacetonitrile,3,5-bis(1,1-dimethylethyl)-4-hydroxy-

CAS
1611-07-0
Catalog Number
ACM1611070
Category
Other Products
Molecular Weight
245.36
Molecular Formula
C16H23NO

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Specification

Synonyms
ZINC00157305, BTB09886, CID615568, (3,5-Ditert-butyl-4-hydroxyphenyl)acetonitrile, 2,6-Bis(1,1-dimethylethyl)-4-cyanomethylphenol, 1611-07-0
IUPAC Name
2-(3,5-ditert-butyl-4-hydroxyphenyl)acetonitrile
Canonical SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC#N
InChI Key
BEQZSRGZHCDMMH-UHFFFAOYSA-N
Boiling Point
323ºC at 760 mmHg
Melting Point
104ºC
Flash Point
149.2ºC
Density
0.991 g/cm³
Appearance
Colourless to light yellow crystalline solid
Exact Mass
245.17800
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
1
Packing Group
III
Safety Description
22-36/37/39-45
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