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CAS Number: 77802-22-3
4-(2-hydroxypropan-2-yl)benzonitrile

Structure

 4-(2-hydroxypropan-2-yl)benzonitrile
Name: 4-(2-hydroxypropan-2-yl)benzonitrile
Synonyms:
General Information
Product Number: 77802223

CAS Registry Number 77802-22-3
Name:
Benzonitrile, 4-?(1-?hydroxy-?1-?methylethyl)?-
4-(1-Hydroxy-1-methylethyl)benzonitrile
2-(4-Cyanophenyl)-2-hydroxypropane
4-(2-Hydroxypropan-2-yl)benzonitrile

 

Chemical Formula: C10H11NO
Exact Mass: 161.08
Molecular Weight: 161.20
m/z: 161.08 (100.0%), 162.09 (11.0%)

 

InChI:InChI=1S/C10H11NO/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6,12H,1-2H3

InChI Key:FJDCEKDPEOIGEJ-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C1=CC=C(C=C1)C#N)O

 

Thermal Properties Value Condition Note
Melting Point 49-51 °C   (3)CAS
Melting Point 48-51 °C   (1)CAS

Specification

98%
References
  1. (1) Tucker, John L.; Synthetic Communications 2006, V36(15), P2145-2150 CAPLUS
  2. (3) Okamoto, Y.; Journal of the American Chemical Society 1958, V80, P4969-72 CAPLUS
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