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Bis(4-cyanophenyl)methanol

CAT: 0572-TRC-B422850-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B422850-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134521-16-7
Synonyms
Benzonitrile, 4,4'-(hydroxymethylene)bis-; 4,4'-(Hydroxymethylene)bis[benzonitrile]; 4,4'-Methanolbisbenzonitrile; 4-[(4-Cyanophenyl)(hydroxy)methyl]benzonitrile; Bis(4-cyanophenyl)methanol; Bis(p-cyanophenyl)methanol; CGP 44645
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
OC(c1ccc(cc1)C#N)c2ccc(cc2)C#N
Molecular Formula
C15 H10 N2 O
Molecular Weight
234.25
InChI
InChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H
Additionnal Information
IUPAC name: 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Bis(4-cyanophenyl)methanol

4,4'-methanol-bisbenzonitrile is a diarylmethane.

CAS Number134521-16-7
PubChem CID10466550
IUPAC Name4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile
Molecular FormulaC15H10N2O
Molecular Weight234.25
XLogP2.2
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity322
SMILES
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)O
InChI
InChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H
InChIKey
JNJWXPZHWUOYRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(4-cyanophenyl)methanol
CAS: 134521-16-7
CID: 10466550
Formula: C15H10N2O
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass234.079312947
Monoisotopic Mass234.079312947
Topological Polar Surface Area67.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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