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CAS Number: 10406-25-4
4-(aminomethyl)benzonitrile

Structure

4-(aminomethyl)benzonitrile
Name: 4-(aminomethyl)benzonitrile
Synonyms:
General Information
Product Number: 10406254
CAS Registry Number: 10406-25-4
Name:
Benzonitrile, 4-​(aminomethyl)​-
p-​Tolunitrile, α-​amino- (6CI,​7CI,​8CI); 4-​(Aminomethyl)​benzonitrile; 4-​Cyanobenzylamine; p-​Cyanobenzylamine; p-​Cyanophenylmethylami​ne; α-​Amino-​p-​tolunitrile 
 
Chemical Formula: C8H8N2
Exact Mass: 132.07
Molecular Weight: 132.16
m/z: 132.07 (100.0%), 133.07 (9.4%)
Elemental Analysis: C, 72.70; H, 6.10; N, 21.20
 
InChI: InChI=1S/C8H8N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5,9H2
InChIKey: LFIWXXXFJFOECP-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1CN)C#N
 
Thermal Properties Value Condition Note
Boiling Point 147-153 °C Press: 12 Torr (1)CAS
Boiling Point 126 °C Press: 2 Torr (2)CAS
Boiling Point 92 °C Press: 5 Torr (3)CAS
Boiling Point 82 °C Press: 3.5 Torr (3)CAS
Melting Point 53-54 °C   (7)CAS
Melting Point 19 °C   (2)CAS

Specification

98%

References
  1. (1) Walter, Wolfgang; Justus Liebigs Annalen der Chemie 1962, V660, P60-73 CAPLUS
  2. (2) Quin, Denis C.; GB 814631 1959 CAPLUS
  3. (3) Freidlin, L. Kh.; Doklady Akademii Nauk SSSR 1957, V112, P880-1 CAPLUS
  4. (4) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  5. (5) Maligres, Peter E.; Journal of Heterocyclic Chemistry 2003, V40(2), P229-241 CAPLUS
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Pietrusza, Edward W.; US 3050544 1962 CAPLUS
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