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CAS Number: 16681-68-8
1H-1,2,3-triazole-4-carbaldehyde

Structure

 1H-1,2,3-triazole-4-carbaldehyde
Name: 1H-1,2,3-triazole-4-carbaldehyde
Synonyms:
General Information
Product Number: 16681688

CAS Registry Number 16681-68-8
Name:
1H-?1,?2,?3-?Triazole-?5-?carboxaldehyde
1H-1,2,3-Triazole-4-carboxaldehyde (9CI)
v-Triazole-4-carboxaldehyde (7CI,8CI)
NSC 20115

 

Chemical Formula: C3H3N3O
Exact Mass: 97.03
Molecular Weight: 97.08
m/z: 97.03 (100.0%), 98.03 (3.3%), 98.02 (1.1%)

 

InChI:InChI=1S/C3H3N3O/c7-2-3-1-4-6-5-3/h1-2H,(H,4,5,6)

InChI Key:MOLKLIYWXFEEJM-UHFFFAOYSA-N

Canonical SMILES:C1=NNN=C1C=O

 

Thermal Properties Value Condition Note
Melting Point 141-142 °C   (2)CAS
Melting Point 141-142 °C Solv: water (7732-18-5) (3)CAS
Melting Point 137-138 °C Solv: benzene (71-43-2); hexane (110-54-3) (1)CAS

Specification

98%
References
  1. (1) Demina, M. M.; Russian Journal of Organic Chemistry 2004, V40(12), P1804-1809 CAPLUS
  2. (2) Sheehan, John C.; Journal of the American Chemical Society 1949, V71, P1436-40 CAPLUS
  3. (3) Huttel, Rudolf; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1941, V74B, P1680-7 CAPLUS
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