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CAS Number: 10466-37-2
4,4'-methylenedibenzonitrile

Structure

4,4'-methylenedibenzonitrile
Name: 4,4'-methylenedibenzonitrile
Synonyms:
General Information
Product Number: 10466372

CAS Registry Number 10466-37-2
Name:
Benzonitrile, 4,?4'-?methylenebis-
Benzonitrile, 4,4'-methylenedi- (6CI,7CI,8CI)
4,4'-Methylenebis[benzonitrile]
4,4'-Dicyanodiphenylmethane
NSC 174860

 

Chemical Formula: C15H10N2
Exact Mass: 218.08
Molecular Weight: 218.25
m/z: 218.08 (100.0%), 219.09 (16.3%), 220.09 (1.2%)

 

InChI:InChI=1S/C15H10N2/c16-10-14-5-1-12(2-6-14)9-13-3-7-15(11-17)8-4-13/h1-8H,9H2

InChI Key:QHPFUQAZWHBITN-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1CC2=CC=C(C=C2)C#N)C#N

 

Thermal Properties Value Condition Note
Melting Point 167 °C   (2)CAS
Melting Point 131-133 °C   (3)CAS
Melting Point 125-128 °C Solv: ethyl acetate (141-78-6) (4)CAS
Melting Point 125-128 °C Solv: ethyl acetate (141-78-6) (5)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Doiron, Jeremie; European Journal of Medicinal Chemistry 2011, V46(9), P4010-4024 CAPLUS
  2. (2) Reichstein, T.; Helvetica Chimica Acta 1933, V16, P1373-80 CAPLUS
  3. (3) Ugi, I.; Angewandte Chemie 1965, V77(11), P492-504 CAPLUS
  4. (4) Ugi, Ivar; DE 1158500 1963 CAPLUS
  5. (5) Ugi, Ivar; FR 1384210 1965 CAPLUS
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