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CAS Number: 32446-66-5
4,4'-carbonyldibenzonitrile

Structure

4,4'-carbonyldibenzonitrile
Name: 4,4'-carbonyldibenzonitrile
Synonyms:
General Information
Product Number: 32446665

CAS Registry Number: 32446-66-5

Name:

Benzonitrile, 4,​4'-​carbonylbis-
Benzonitrile, 4,​4'-​carbonyldi- (8CI); 4,​4'-​Dicyanobenzophenone; Bis(4-​cyanophenyl) ketone; Bis(p-​cyanophenyl) ketone; p,​p'-​Dicyanobenzophenone 

 

Chemical Formula: C15H8N2O
Exact Mass: 232.06
Molecular Weight: 232.24
m/z: 232.06 (100.0%), 233.07 (16.4%), 234.07 (1.5%)
Elemental Analysis: C, 77.58; H, 3.47; N, 12.06; O, 6.89

 

InChI: InChI=1S/C15H8N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8H
InChIKey: UKOXPTLWNQHMJV-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1C#N)C(=O)C2=CC=C(C=C2)C#N

 

Thermal Properties Value Condition Note
Melting Point 162 °C   (3)CAS
Melting Point 162 °C Solv: acetic acid (64-19-7) (4)CAS
Melting Point 157-159 °C   (1)CAS
Melting Point 120 °C (decomp)   (5)CAS

Specification

98%

References
  1. (1) Kobayashi, Kana; Journal of Organic Chemistry 2011, V76(6), P1949-1952 CAPLUS
  2. (2) Wang, Shihua; Journal of Physical Chemistry C 2009, V113(38), P16686-16693 CAPLUS
  3. (3) Ashley, J. N.; Journal of the Chemical Society 1942, P103-16 CAPLUS
  4. (4) Tadros, Wadie; Journal of the Chemical Society 1953, P186-9 CAPLUS
  5. (5) Ugi, I.; Angewandte Chemie 1965, V77(11), P492-504 CAPLUS
  6. (6) Song, Qin-Hua; European Journal of Organic Chemistry 2006, (7), P1790-1800 CAPLUS
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