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CAS Number: 943-13-5
5,6-dihydrocyclobuta[4,5]benzo[1,2-d][1,3]dioxole-5-carbonitrile

Structure

 5,6-dihydrocyclobuta[4,5]benzo[1,2-d][1,3]dioxole-5-carbonitrile
Name: 5,6-dihydrocyclobuta[4,5]benzo[1,2-d][1,3]dioxole-5-carbonitrile
Synonyms:
General Information
Product Number: 943135

CAS Registry Number 943-13-5
Name:
Cyclobuta[4,?5]?benzo[1,?2-?d]?-?1,?3-?dioxole-?5-?carbonitrile, 5,?6-?dihydro-
Cyclobuta[f]-1,3-benzodioxole-5-carbonitrile, 5,6-dihydro- (7CI,8CI,9CI)

 

Chemical Formula: C10H7NO2
Exact Mass: 173.05
Molecular Weight: 173.17
m/z: 173.05 (100.0%), 174.05 (11.0%)

 

InChI:InChI=1S/C10H7NO2/c11-4-7-1-6-2-9-10(3-8(6)7)13-5-12-9/h2-3,7H,1,5H2

InChI Key:JJWVROPXUHNEPC-UHFFFAOYSA-N

Canonical SMILES:C1C(C2=CC3=C(C=C21)OCO3)C#N

 

Thermal Properties Value Condition Note
Boiling Point 115-120 °C Press: 0.1 Torr (1)CAS
Melting Point 86-88 °C   (2)IC
Melting Point 84-87 °C   (1)CAS

Specification

98%
References
  1. (1) BE 635901 1964 CAPLUS
  2. (2) Schiess, Peter; Tetrahedron Letters 1982, V23(36), P3669-72 CAPLUS
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