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CAS Number: 10602-03-6
ethyl 4-ethynylbenzoate

Structure

ethyl 4-ethynylbenzoate
Name: ethyl 4-ethynylbenzoate
Synonyms:
General Information
Product Number: 10602036
CAS Registry Number:
10602-03-6
Name:
Benzoic acid, 4-ethynyl-, ethyl ester
Benzoic acid, p-ethynyl-, ethyl ester (7CI,8CI); (p-Ethoxycarbonylphenyl)acetylene; 4-(Ethoxycarbonyl)phenylacetylene; Ethyl 4-ethynylbenzoate 
 
Chemical Formula: C11H10O2
Exact Mass: 174.07
Molecular Weight: 174.20
m/z: 174.07 (100.0%), 175.07 (12.1%), 176.07 (1.1%)
Elemental Analysis: C, 75.84; H, 5.79; O, 18.37
 
InChI: InChI=1S/C11H10O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h1,5-8H,4H2,2H3
InChIKey: CKAGLAFXBLZHAS-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=C(C=C1)C#C
 
 
Thermal Properties Value Condition Note
Melting Point 28 °C   (2)CAS

Specification

98%

References

 

  1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  2. (2) Schaate, Andreas; Chemistry - A European Journal 2011, V17(34), P9320-9325, S9320/1-S9320/21 CAPLUS
  3. (3) Tang, Yanli; Langmuir 2009, V25(1), P21-25 CAPLUS
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